diff --git a/sphinxman/master/_modules/index.html b/sphinxman/master/_modules/index.html
index b4a4826b537..42091917055 100644
--- a/sphinxman/master/_modules/index.html
+++ b/sphinxman/master/_modules/index.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/index.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/_modules/psi4/driver/aliases.html b/sphinxman/master/_modules/psi4/driver/aliases.html
index 3359778ba07..9ea73c5683b 100644
--- a/sphinxman/master/_modules/psi4/driver/aliases.html
+++ b/sphinxman/master/_modules/psi4/driver/aliases.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -385,7 +385,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -399,7 +399,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/diatomic.html b/sphinxman/master/_modules/psi4/driver/diatomic.html
index 19afe623681..94e938f0512 100644
--- a/sphinxman/master/_modules/psi4/driver/diatomic.html
+++ b/sphinxman/master/_modules/psi4/driver/diatomic.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -461,7 +461,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/diatomic.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -475,7 +475,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver.html b/sphinxman/master/_modules/psi4/driver/driver.html
index 9f644a1712f..070170bfeb6 100644
--- a/sphinxman/master/_modules/psi4/driver/driver.html
+++ b/sphinxman/master/_modules/psi4/driver/driver.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2314,7 +2314,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2328,7 +2328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_cbs.html b/sphinxman/master/_modules/psi4/driver/driver_cbs.html
index c1826332fbd..8887a7b5220 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_cbs.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_cbs.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2012,7 +2012,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2026,7 +2026,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html b/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
index 0c762f2206e..522e48e0f7c 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs_helper.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -893,7 +893,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_findif.html b/sphinxman/master/_modules/psi4/driver/driver_findif.html
index 3dfcdf9f7c5..269708d4154 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_findif.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_findif.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_findif.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1747,7 +1747,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_findif.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1761,7 +1761,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 99f781bcc6a..7a8a1302dab 100644
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -992,7 +992,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -965,7 +965,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -360,7 +360,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html
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-    <script src="../../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -759,7 +759,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/task_planner.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -471,7 +471,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/task_planner.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -485,7 +485,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html b/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
index de2fa1367f5..dbdfc19b846 100644
--- a/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
+++ b/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_autofrag.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_autofrag.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/wrapper_database.html b/sphinxman/master/_modules/psi4/driver/wrapper_database.html
index 3bd389292d9..12599742aa2 100644
--- a/sphinxman/master/_modules/psi4/driver/wrapper_database.html
+++ b/sphinxman/master/_modules/psi4/driver/wrapper_database.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -832,7 +832,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/extras.html b/sphinxman/master/_modules/psi4/extras.html
index 11e555e9ef0..03972ad8d23 100644
--- a/sphinxman/master/_modules/psi4/extras.html
+++ b/sphinxman/master/_modules/psi4/extras.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/extras.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,6 +288,7 @@ <h1>Source code for psi4.extras</h1><div class="highlight"><pre>
     <span class="c1">#&quot;mctc-gcp&quot;: psi4_which(&quot;mctc-gcp&quot;, return_bool=True),</span>
     <span class="s2">&quot;bse&quot;</span><span class="p">:</span> <span class="n">which_import</span><span class="p">(</span><span class="s2">&quot;basis_set_exchange&quot;</span><span class="p">,</span> <span class="n">return_bool</span><span class="o">=</span><span class="kc">True</span><span class="p">),</span>
     <span class="s2">&quot;einsums&quot;</span><span class="p">:</span> <span class="n">_CMake_to_Py_boolean</span><span class="p">(</span><span class="s2">&quot;OFF&quot;</span><span class="p">),</span>
+    <span class="s2">&quot;gauxc&quot;</span><span class="p">:</span> <span class="n">_CMake_to_Py_boolean</span><span class="p">(</span><span class="s2">&quot;OFF&quot;</span><span class="p">),</span>
 <span class="p">}</span>
 
 
@@ -487,7 +488,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/extras.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -501,7 +502,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/qcdb/vib.html b/sphinxman/master/_modules/qcdb/vib.html
index a1e73b967f4..10e8dbbea86 100644
--- a/sphinxman/master/_modules/qcdb/vib.html
+++ b/sphinxman/master/_modules/qcdb/vib.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1419,7 +1419,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1433,7 +1433,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/qcelemental/testing.html b/sphinxman/master/_modules/qcelemental/testing.html
index 1a50214b4ed..073ffd27996 100644
--- a/sphinxman/master/_modules/qcelemental/testing.html
+++ b/sphinxman/master/_modules/qcelemental/testing.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -776,7 +776,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -790,7 +790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_sources/api/psi4.core.CompositeJK.rst.txt b/sphinxman/master/_sources/api/psi4.core.CompositeJK.rst.txt
index fbad54a5245..fdb3eafb924 100644
--- a/sphinxman/master/_sources/api/psi4.core.CompositeJK.rst.txt
+++ b/sphinxman/master/_sources/api/psi4.core.CompositeJK.rst.txt
@@ -13,6 +13,7 @@ CompositeJK
       ~CompositeJK.clear_D_prev
       ~CompositeJK.do_incfock_iter
       ~CompositeJK.get_COSX_grid
+      ~CompositeJK.get_snLinK_max_am
       ~CompositeJK.set_COSX_grid
 
    .. rubric:: Methods Documentation
@@ -20,4 +21,5 @@ CompositeJK
    .. automethod:: clear_D_prev
    .. automethod:: do_incfock_iter
    .. automethod:: get_COSX_grid
+   .. automethod:: get_snLinK_max_am
    .. automethod:: set_COSX_grid
diff --git a/sphinxman/master/_sources/api/psi4.core.GaussianShell.rst.txt b/sphinxman/master/_sources/api/psi4.core.GaussianShell.rst.txt
index 26eaa8a4ffa..2ed10126401 100644
--- a/sphinxman/master/_sources/api/psi4.core.GaussianShell.rst.txt
+++ b/sphinxman/master/_sources/api/psi4.core.GaussianShell.rst.txt
@@ -24,6 +24,7 @@ GaussianShell
    .. autosummary::
 
       ~GaussianShell.coef
+      ~GaussianShell.coord
       ~GaussianShell.erd_coef
       ~GaussianShell.exp
       ~GaussianShell.is_cartesian
@@ -44,6 +45,7 @@ GaussianShell
    .. rubric:: Methods Documentation
 
    .. automethod:: coef
+   .. automethod:: coord
    .. automethod:: erd_coef
    .. automethod:: exp
    .. automethod:: is_cartesian
diff --git a/sphinxman/master/_sources/autodir_options_c/cphf__scf_type.rst.txt b/sphinxman/master/_sources/autodir_options_c/cphf__scf_type.rst.txt
index ec1b88b1638..b07d346872f 100644
--- a/sphinxman/master/_sources/autodir_options_c/cphf__scf_type.rst.txt
+++ b/sphinxman/master/_sources/autodir_options_c/cphf__scf_type.rst.txt
@@ -4,6 +4,6 @@
       SCF Type
 
       * **Type**: string
-      * **Possible Values**: DIRECT, DF, PK, OUT\_OF\_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+LINK, DFDIRJ+COSX
+      * **Possible Values**: DIRECT, DF, PK, OUT\_OF\_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+SNLINK, DFDIRJ+LINK, DFDIRJ+COSX
       * **Default**: DIRECT
 
diff --git a/sphinxman/master/_sources/autodir_options_c/globals__scf_type.rst.txt b/sphinxman/master/_sources/autodir_options_c/globals__scf_type.rst.txt
index 035de1272d1..be357d40348 100644
--- a/sphinxman/master/_sources/autodir_options_c/globals__scf_type.rst.txt
+++ b/sphinxman/master/_sources/autodir_options_c/globals__scf_type.rst.txt
@@ -4,6 +4,6 @@
       What algorithm to use for the SCF computation. See Table :ref:`SCF Convergence & Algorithm <table:conv_scf>` for default algorithm for different calculation types.
 
       * **Type**: string
-      * **Possible Values**: DIRECT, DF, MEM\_DF, DISK\_DF, PK, OUT\_OF\_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK
+      * **Possible Values**: DIRECT, DF, MEM\_DF, DISK\_DF, PK, OUT\_OF\_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK, DFDIRJ+SNLINK
       * **Default**: PK
 
diff --git a/sphinxman/master/_sources/autodir_options_c/module__scf.rst.txt b/sphinxman/master/_sources/autodir_options_c/module__scf.rst.txt
index 9cfc2326e20..f1345afaa68 100644
--- a/sphinxman/master/_sources/autodir_options_c/module__scf.rst.txt
+++ b/sphinxman/master/_sources/autodir_options_c/module__scf.rst.txt
@@ -137,6 +137,17 @@ ______________
 .. include:: scf__cosx_spherical_points_final.rst
 .. include:: scf__cosx_spherical_points_initial.rst
 
+.. _`apdx:scfsnlinkalgorithm`:
+
+snLinK Algorithm 
+________________
+
+.. include:: scf__snlink_ints_tolerance.rst
+.. include:: scf__snlink_radial_points.rst
+.. include:: scf__snlink_radial_scheme.rst
+.. include:: scf__snlink_spherical_points.rst
+.. include:: scf__snlink_use_gpu.rst
+
 .. _`apdx:scfsadguessalgorithm`:
 
 SAD Guess Algorithm 
@@ -249,6 +260,24 @@ _______________________
 .. include:: scf__cosx_overlap_fitting.rst
 .. include:: scf__cosx_pruning_scheme.rst
 
+.. _`apdx:scfesnlinkalgorithm`:
+
+*Expert* snLinK Algorithm 
+_________________________
+
+.. include:: scf__snlink_basis_tolerance.rst
+.. include:: scf__snlink_density_tolerance.rst
+.. include:: scf__snlink_force_cartesian.rst
+.. include:: scf__snlink_gpu_mem.rst
+.. include:: scf__snlink_grid_batch_size.rst
+.. include:: scf__snlink_integrator_kernel.rst
+.. include:: scf__snlink_load_balancer_kernel.rst
+.. include:: scf__snlink_lwd_kernel.rst
+.. include:: scf__snlink_mol_weights_kernel.rst
+.. include:: scf__snlink_pruning_scheme.rst
+.. include:: scf__snlink_reduction_kernel.rst
+.. include:: scf__snlink_use_debug_grid.rst
+
 .. _`apdx:scfesadguessalgorithm`:
 
 *Expert* SAD Guess Algorithm 
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_basis_tolerance.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_basis_tolerance.rst.txt
new file mode 100644
index 00000000000..0e29eb41142
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_basis_tolerance.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_BASIS_TOLERANCE <SNLINK_BASIS_TOLERANCE (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Screening criteria for basis function values on snLinK grids 
+
+      * **Type**: :ref:`conv double <op_c_conv>`
+      * **Default**: 1.0e-10
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_density_tolerance.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_density_tolerance.rst.txt
new file mode 100644
index 00000000000..72b9b9f3133
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_density_tolerance.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_DENSITY_TOLERANCE <SNLINK_DENSITY_TOLERANCE (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Screening criteria for shell-pair densities in snLinK 
+
+      * **Type**: :ref:`conv double <op_c_conv>`
+      * **Default**: 1.0e-10
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_force_cartesian.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_force_cartesian.rst.txt
new file mode 100644
index 00000000000..a426159dc4b
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_force_cartesian.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_FORCE_CARTESIAN <SNLINK_FORCE_CARTESIAN (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Force snLinK to use cartesian coordinates 
+
+      * **Type**: :ref:`boolean <op_c_boolean>`
+      * **Default**: false
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_gpu_mem.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_gpu_mem.rst.txt
new file mode 100644
index 00000000000..9b927eecb9e
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_gpu_mem.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_GPU_MEM <SNLINK_GPU_MEM (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""
+
+      Proportion (in %) of available GPU memory to allocate to snLinK. 
+
+      * **Type**: :ref:`boolean <op_c_boolean>`
+      * **Default**: 90
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_grid_batch_size.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_grid_batch_size.rst.txt
new file mode 100644
index 00000000000..fa2e48a3f77
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_grid_batch_size.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_GRID_BATCH_SIZE <SNLINK_GRID_BATCH_SIZE (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Maximum number of grid points per grid block for GauXC  
+
+      * **Type**: integer
+      * **Default**: 2048
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_integrator_kernel.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_integrator_kernel.rst.txt
new file mode 100644
index 00000000000..43b5ab9283d
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_integrator_kernel.rst.txt
@@ -0,0 +1,9 @@
+:term:`SNLINK_INTEGRATOR_KERNEL <SNLINK_INTEGRATOR_KERNEL (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Integrator execution kernel for snLinK  GauXC also has SHELLBATCHED, but it is incompatible with Psi4 due to not being yet implemented with sn-LinK.
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, INCORE
+      * **Default**: DEFAULT
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_ints_tolerance.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_ints_tolerance.rst.txt
new file mode 100644
index 00000000000..d23d0530bfb
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_ints_tolerance.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_INTS_TOLERANCE <SNLINK_INTS_TOLERANCE (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Screening criteria for integrals and intermediates in snLinK
+
+      * **Type**: :ref:`conv double <op_c_conv>`
+      * **Default**: 1.0e-11
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_load_balancer_kernel.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_load_balancer_kernel.rst.txt
new file mode 100644
index 00000000000..fa0ab05461c
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_load_balancer_kernel.rst.txt
@@ -0,0 +1,9 @@
+:term:`SNLINK_LOAD_BALANCER_KERNEL <SNLINK_LOAD_BALANCER_KERNEL (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Load Balancer kernel for snLinK 
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, REPLICATED, REPLICATED-PETITE, REPLICATED-FILLIN
+      * **Default**: DEFAULT
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_lwd_kernel.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_lwd_kernel.rst.txt
new file mode 100644
index 00000000000..9d0935b0494
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_lwd_kernel.rst.txt
@@ -0,0 +1,9 @@
+:term:`SNLINK_LWD_KERNEL <SNLINK_LWD_KERNEL (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Integrator local work driver kernel for snLinK  GauXC also has SCHEME1-CUTLASS, but it is disabled in Psi4 for now due to compile-time issues and requiring very modern CUDA CCs (>=80)
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, REFERENCE, SCHEME1, SCHEME1-MAGMA
+      * **Default**: DEFAULT
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_mol_weights_kernel.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_mol_weights_kernel.rst.txt
new file mode 100644
index 00000000000..cf1b28a582f
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_mol_weights_kernel.rst.txt
@@ -0,0 +1,9 @@
+:term:`SNLINK_MOL_WEIGHTS_KERNEL <SNLINK_MOL_WEIGHTS_KERNEL (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Molecular Weights kernel for snLinK 
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT
+      * **Default**: DEFAULT
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_pruning_scheme.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_pruning_scheme.rst.txt
new file mode 100644
index 00000000000..4879a21d087
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_pruning_scheme.rst.txt
@@ -0,0 +1,9 @@
+:term:`SNLINK_PRUNING_SCHEME <SNLINK_PRUNING_SCHEME (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Pruning scheme for snLinK grids 
+
+      * **Type**: string
+      * **Possible Values**: ROBUST, TREUTLER, NONE
+      * **Default**: ROBUST
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_radial_points.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_radial_points.rst.txt
new file mode 100644
index 00000000000..753f75017e8
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_radial_points.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_RADIAL_POINTS <SNLINK_RADIAL_POINTS (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Number of radial points in snLinK grid.
+
+      * **Type**: integer
+      * **Default**: 70
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_radial_scheme.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_radial_scheme.rst.txt
new file mode 100644
index 00000000000..e3f717a43a0
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_radial_scheme.rst.txt
@@ -0,0 +1,9 @@
+:term:`SNLINK_RADIAL_SCHEME <SNLINK_RADIAL_SCHEME (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Radial Scheme for snLinK grid. MURA is default here as it matches the GauXC default option
+
+      * **Type**: string
+      * **Possible Values**: MURA, TREUTLER, EM
+      * **Default**: MURA
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_reduction_kernel.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_reduction_kernel.rst.txt
new file mode 100644
index 00000000000..9cb804bb7c3
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_reduction_kernel.rst.txt
@@ -0,0 +1,9 @@
+:term:`SNLINK_REDUCTION_KERNEL <SNLINK_REDUCTION_KERNEL (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Integrator reduction kernel for snLinK  GauXC also has NCCL, but it is incompatible with Psi4 due to requiring MPI.
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, BASICMPI
+      * **Default**: DEFAULT
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_spherical_points.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_spherical_points.rst.txt
new file mode 100644
index 00000000000..57615a5f52b
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_spherical_points.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_SPHERICAL_POINTS <SNLINK_SPHERICAL_POINTS (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Number of spherical points in snLinK grid.
+
+      * **Type**: integer
+      * **Default**: 302
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_use_debug_grid.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_use_debug_grid.rst.txt
new file mode 100644
index 00000000000..51c63278070
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_use_debug_grid.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_USE_DEBUG_GRID <SNLINK_USE_DEBUG_GRID (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+      Overwrite sn-LinK grid options with debug grid matching GauXC's Ultrafine grid spec 
+
+      * **Type**: integer
+      * **Default**: false
+
diff --git a/sphinxman/master/_sources/autodir_options_c/scf__snlink_use_gpu.rst.txt b/sphinxman/master/_sources/autodir_options_c/scf__snlink_use_gpu.rst.txt
new file mode 100644
index 00000000000..2da3c594296
--- /dev/null
+++ b/sphinxman/master/_sources/autodir_options_c/scf__snlink_use_gpu.rst.txt
@@ -0,0 +1,8 @@
+:term:`SNLINK_USE_GPU <SNLINK_USE_GPU (SCF)>`
+"""""""""""""""""""""""""""""""""""""""""""""
+
+      Use GPU for GauXC?
+
+      * **Type**: :ref:`boolean <op_c_boolean>`
+      * **Default**: false
+
diff --git a/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt b/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt
index b323fd82d36..0596d351e13 100644
--- a/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt
+++ b/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt
@@ -298,7 +298,7 @@ Keywords by Alpha
       :ref:`apdx:GLOBALS` |w---w| What algorithm to use for the SCF computation. See Table :ref:`SCF Convergence & Algorithm <table:conv_scf>` for default algorithm for different calculation types.
 
       * **Type**: string
-      * **Possible Values**: DIRECT, DF, MEM\_DF, DISK\_DF, PK, OUT\_OF\_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK
+      * **Possible Values**: DIRECT, DF, MEM\_DF, DISK\_DF, PK, OUT\_OF\_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK, DFDIRJ+SNLINK
       * **Default**: PK
 
    SCREENING (GLOBALS)
@@ -2232,7 +2232,7 @@ Keywords by Alpha
       :ref:`apdx:CPHF` |w---w| SCF Type
 
       * **Type**: string
-      * **Possible Values**: DIRECT, DF, PK, OUT\_OF\_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+LINK, DFDIRJ+COSX
+      * **Possible Values**: DIRECT, DF, PK, OUT\_OF\_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+SNLINK, DFDIRJ+LINK, DFDIRJ+COSX
       * **Default**: DIRECT
 
    SOLVER_CONVERGENCE (CPHF)
@@ -6052,6 +6052,37 @@ Keywords by Alpha
       * **Type**: integer
       * **Default**: 50
 
+   SNLINK_INTS_TOLERANCE (SCF)
+      :ref:`apdx:SCF` |w---w| Screening criteria for integrals and intermediates in snLinK
+
+      * **Type**: :ref:`conv double <op_c_conv>`
+      * **Default**: 1.0e-11
+
+   SNLINK_RADIAL_POINTS (SCF)
+      :ref:`apdx:SCF` |w---w| Number of radial points in snLinK grid.
+
+      * **Type**: integer
+      * **Default**: 70
+
+   SNLINK_RADIAL_SCHEME (SCF)
+      :ref:`apdx:SCF` |w---w| Radial Scheme for snLinK grid. MURA is default here as it matches the GauXC default option
+
+      * **Type**: string
+      * **Possible Values**: MURA, TREUTLER, EM
+      * **Default**: MURA
+
+   SNLINK_SPHERICAL_POINTS (SCF)
+      :ref:`apdx:SCF` |w---w| Number of spherical points in snLinK grid.
+
+      * **Type**: integer
+      * **Default**: 302
+
+   SNLINK_USE_GPU (SCF)
+      :ref:`apdx:SCF` |w---w| Use GPU for GauXC?
+
+      * **Type**: :ref:`boolean <op_c_boolean>`
+      * **Default**: false
+
    SAD_D_CONVERGENCE (SCF)
       :ref:`apdx:SCF` |w---w| Convergence criterion for SCF density in the SAD guess, analogous to |scf__d_convergence|.
 
@@ -7390,6 +7421,84 @@ Keywords by Alpha
       * **Type**: string
       * **Default**: ROBUST
 
+   SNLINK_BASIS_TOLERANCE (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Screening criteria for basis function values on snLinK grids 
+
+      * **Type**: :ref:`conv double <op_c_conv>`
+      * **Default**: 1.0e-10
+
+   SNLINK_DENSITY_TOLERANCE (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Screening criteria for shell-pair densities in snLinK 
+
+      * **Type**: :ref:`conv double <op_c_conv>`
+      * **Default**: 1.0e-10
+
+   SNLINK_FORCE_CARTESIAN (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Force snLinK to use cartesian coordinates 
+
+      * **Type**: :ref:`boolean <op_c_boolean>`
+      * **Default**: false
+
+   SNLINK_GPU_MEM (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Proportion (in %) of available GPU memory to allocate to snLinK. 
+
+      * **Type**: :ref:`boolean <op_c_boolean>`
+      * **Default**: 90
+
+   SNLINK_GRID_BATCH_SIZE (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Maximum number of grid points per grid block for GauXC  
+
+      * **Type**: integer
+      * **Default**: 2048
+
+   SNLINK_INTEGRATOR_KERNEL (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Integrator execution kernel for snLinK  GauXC also has SHELLBATCHED, but it is incompatible with Psi4 due to not being yet implemented with sn-LinK.
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, INCORE
+      * **Default**: DEFAULT
+
+   SNLINK_LOAD_BALANCER_KERNEL (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Load Balancer kernel for snLinK 
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, REPLICATED, REPLICATED-PETITE, REPLICATED-FILLIN
+      * **Default**: DEFAULT
+
+   SNLINK_LWD_KERNEL (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Integrator local work driver kernel for snLinK  GauXC also has SCHEME1-CUTLASS, but it is disabled in Psi4 for now due to compile-time issues and requiring very modern CUDA CCs (>=80)
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, REFERENCE, SCHEME1, SCHEME1-MAGMA
+      * **Default**: DEFAULT
+
+   SNLINK_MOL_WEIGHTS_KERNEL (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Molecular Weights kernel for snLinK 
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT
+      * **Default**: DEFAULT
+
+   SNLINK_PRUNING_SCHEME (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Pruning scheme for snLinK grids 
+
+      * **Type**: string
+      * **Possible Values**: ROBUST, TREUTLER, NONE
+      * **Default**: ROBUST
+
+   SNLINK_REDUCTION_KERNEL (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Integrator reduction kernel for snLinK  GauXC also has NCCL, but it is incompatible with Psi4 due to requiring MPI.
+
+      * **Type**: string
+      * **Possible Values**: DEFAULT, BASICMPI
+      * **Default**: DEFAULT
+
+   SNLINK_USE_DEBUG_GRID (SCF)
+      :ref:`apdx:SCF` **(Expert)** |w---w| Overwrite sn-LinK grid options with debug grid matching GauXC's Ultrafine grid spec 
+
+      * **Type**: integer
+      * **Default**: false
+
    DF_BASIS_SAD (SCF)
       :ref:`apdx:SCF` **(Expert)** |w---w| Density fitting basis used in SAD 
 
diff --git a/sphinxman/master/_sources/bibliography.rst.txt b/sphinxman/master/_sources/bibliography.rst.txt
index eabc5fd095c..548fb1b6b33 100644
--- a/sphinxman/master/_sources/bibliography.rst.txt
+++ b/sphinxman/master/_sources/bibliography.rst.txt
@@ -754,3 +754,17 @@ Bibliography
 .. not yet referenced   D. A. Matthews
 .. not yet referenced   *J. Chem. Theory Comput.* **16**, 1382 (2020).
 .. not yet referenced   https://doi.org/10.1021/acs.jctc.9b01205
+
+.. [Williams-Young:2023:234104]
+   "Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory"
+   D. B. Williams-Young and A. Asadchev and D. T. Popovici and D. Clark and J. Waldrop and T.L. Windus and E. F. Valeev and W. A. de Jong   
+   *J. Chem. Phys.* **158**, 234104 (2023).
+   https://doi.org/10.1063/5.0151070
+
+.. [Laqua:2020:1456]
+   "Highly Efficient, Linear-Scaling Seminumerical Exact-Exchange Method for Graphic Processing Units"
+   H. Laqua and T. H. Thompson and J. Kussmann and C. Ochsenfeld
+   *J. Chem. Theory Comput.* **16**, 1456-1468 (2020)
+   https://doi.org/10.1021/acs.jctc.9b00860
+
+>>>>>>> Other build cleanups and documentation updates
diff --git a/sphinxman/master/_sources/scf.rst.txt b/sphinxman/master/_sources/scf.rst.txt
index bf627c97613..be6f6073eb1 100644
--- a/sphinxman/master/_sources/scf.rst.txt
+++ b/sphinxman/master/_sources/scf.rst.txt
@@ -736,8 +736,7 @@ are as follows:
 
 COSX
     An algorithm based on the semi-numerical "chain of spheres exchange" (COSX)
-    approach described in [Neese:2009:98]_. The coulomb term is computed with a
-    direct density-fitting algorithm. The COSX algorithm uses no I/O, scales
+    approach described in [Neese:2009:98]_. The COSX algorithm uses no I/O, scales
     well with system size, and requires minimal memory, making it ideal for
     large systems and multi-core CPUs. See :ref:`sec:scfcosx` for more information.
 LINK
@@ -748,6 +747,14 @@ LINK
     LINK implementation scales well with system size 
     while simultaneously providing a formally-exact computation of the 
     Exchange term. See :ref:`sec:scflink` for more information.
+SNLINK
+    An algorithm based on the "seminumerical Linear Exchange" (sn-LinK)
+    approach described in [Laqua:2020:1456]_, SNLINK is only available if |PSIfour|
+    is compiled with the GauXC library, described in [Williams-Young:2023:234104]_.
+    Algorithmically, SNLINK is very similar to COSX, differing primarily in screening of
+    the analytic 3-center integrals. In terms of implementation, SNLINK is more efficient, 
+    owing to more highly-optimized integral contraction kernels; and supports execution
+    on Graphics Processing Units (GPUs). See :ref:`sec:scfsnlink` for more information.
 
 In some cases the above algorithms have multiple implementations that return
 the same result, but are optimal under different molecules sizes and hardware
@@ -900,6 +907,57 @@ To control the LinK algorithm, here are the list of options provided.
   
   |scf__linK_ints_tolerance|: The integral screening tolerance used for sparsity-prep in the LinK algorithm. Defaults to the |scf__ints_tolerance| option.
 
+.. _`sec:scfsnlink`:
+
+Seminumerical Linear Exchange
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+Similar to the COSX algorithm provided by |PSIfour|, the seminumerical Linear Exchange (sn-LinK) algorithm, devised
+by Ochsenfeld in [Laqua:2020:1456]_, improves efficiency of the K construction process by
+decomposing computation of the ERI tensor into a series of contractions involving grid-computed basis
+function components and analytic 3-center integrals. As a "semi-numerical" Exchange construction method,
+sn-LinK is also comparable to the pseudospectral method of Friesner.
+
+sn-LinK and COSX have a number of significant differences in implementation details in |PSIfour|, however.
+First and foremost, the COSX implementation is contained within |PSIfour| itself, and is thus always available
+for execution. On the other hand, the sn-LinK implementation in |PSIfour| is tied to the GauXC standalone
+library discussed in [Williams-Young:2023:234104]_; thus, the |PSIfour|-GauXC interface must be built
+for sn-LinK to be used. Second, the GauXC sn-LinK interface is more
+efficient than the |PSIfour| COSX code on multiple levels. For CPU execution, GauXC's sn-LinK uses highly-optimized
+kernels for the contraction of the analytic integrals, whereas |PSIfour|'s COSX uses a less-optimized, more
+general contraction kernel. Additionally, GauXC's sn-LinK code supports execution on GPUs, allowing for
+GPU-enabled construction of the Exchange matrix, while |PSIfour|'s COSX does not. In general,
+sn-LinK will provide better runtime performance for hitting a desired accuracy
+threshold compared to |PSIfour|'s COSX. Third, some low-level implementation details differ between the two.  
+For example, |PSIfour|'s COSX uses a dual-grid scheme similar to that originally proposed by Neese, 
+converging the SCF on a small grid, then running a number of SCF iterations, 
+equal to the value set by the |scf__cosx_maxiter_final|, on a larger grid. 
+In contrast, sn-LinK only uses a single-grid scheme, simply converging the SCF on one grid. 
+As another example, while the COSX grid defaults are selected to emphasize speed over accuracy, 
+the defaults for sn-LinK are selected to achieve higher accuracy (~0.1 kcal/mol error for interaction/conformer energies).
+
+To control compilation and linking of the optional GauXC dependency required for the sn-LinK algorithm, 
+here are the list of compile-time options provided.
+  
+* :makevar:`ENABLE_gauxc`: Compile Psi4 with support for GauXC.
+
+* :makevar:`gauxc_DIR`: Location of the external GauXC install to compile Psi4 with, if using an external GauXC instance.
+
+* :makevar:`gauxc_ENABLE_GPU`: Enable GPU support for the Psi4-GauXC interface class. When building GauXC internally within Psi4, this keyword controls whether to enable GPU support on the internally-built GauXC instance. When using an external GauXC build, this keyword must align with the GPU capabilities of the external GauXC install.  
+
+To control the sn-LinK algorithm, here are the list of options provided.
+  
+  |scf__snlinK_radial_points|: Number of radial points to use for the sn-LinK grid. Defaults to 70. 
+
+  |scf__snlinK_spherical_points|: Number of spherical points to use for the sn-LinK grid. Defaults to 302.
+
+  |scf__snlinK_radial_scheme|: Radial quadrature scheme to use for the sn-LinK grid. Defaults to ``MURA``. Note that, although different from the more common Psi4 radial quadrature scheme of ``TREUTLER``, the default of ``MURA`` matches the default radial quadrature scheme used by GauXC.
+
+  |scf__snlinK_ints_tolerance|: The integral screening tolerance used in the sn-LinK algorithm. Defaults to the |scf__ints_tolerance| option.
+
+  |scf__snlinK_use_gpu|: Select whether to execute the sn-LinK algorithm on GPU or not. Setting this option to ``true`` will fail unless the Psi4-GauXC interface is compiled with GPU support.
+
+
 .. index::
     single: SOSCF
 
diff --git a/sphinxman/master/_static/documentation_options.js b/sphinxman/master/_static/documentation_options.js
index 2074ee80ae4..df9c95b2e48 100644
--- a/sphinxman/master/_static/documentation_options.js
+++ b/sphinxman/master/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '45660d8',
+    VERSION: '7bfb86a',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/sphinxman/master/adc.html b/sphinxman/master/adc.html
index 5eb2ff1ec59..6f4f1d90443 100644
--- a/sphinxman/master/adc.html
+++ b/sphinxman/master/adc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -519,7 +519,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/adcc.html b/sphinxman/master/adcc.html
index bdff129ed84..74852448902 100644
--- a/sphinxman/master/adcc.html
+++ b/sphinxman/master/adcc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adcc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -379,7 +379,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adcc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -393,7 +393,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/add_tests.html b/sphinxman/master/add_tests.html
index d99e0078b4d..15be610f2c0 100644
--- a/sphinxman/master/add_tests.html
+++ b/sphinxman/master/add_tests.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/add_tests.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -879,7 +879,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/add_tests.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -892,7 +892,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html b/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html
index 0cf3cafbd3f..766a21d7727 100644
--- a/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html
+++ b/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.AOShellCombinationsIterator.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.AOShellCombinationsIterator.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -302,7 +302,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.AngularMomentumInt.html b/sphinxman/master/api/psi4.core.AngularMomentumInt.html
index d59f73ca7e6..de23af36936 100644
--- a/sphinxman/master/api/psi4.core.AngularMomentumInt.html
+++ b/sphinxman/master/api/psi4.core.AngularMomentumInt.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.AngularMomentumInt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.AngularMomentumInt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.BSVec.html b/sphinxman/master/api/psi4.core.BSVec.html
index a6bbcd0d65c..a800ee1b803 100644
--- a/sphinxman/master/api/psi4.core.BSVec.html
+++ b/sphinxman/master/api/psi4.core.BSVec.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -298,7 +298,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -312,7 +312,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -634,7 +634,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a9e888919a1..e74ebdfd30e 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -309,7 +309,7 @@ <h3>Navigation</h3>
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index dadbaa1558b..301b6ddf8bf 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -271,7 +271,7 @@ <h3>Navigation</h3>
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@@ -285,7 +285,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -403,7 +403,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b266161e3ce..9b91ac7225a 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 40b71d6760f..05adacb9444 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 020ad672739..eeffe9240e8 100644
--- a/sphinxman/master/api/psi4.core.CharacterTable.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CompositeJK.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -139,7 +139,10 @@ <h1>CompositeJK<a class="headerlink" href="#compositejk" title="Link to this hea
 <tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.CompositeJK.get_COSX_grid" title="psi4.core.CompositeJK.get_COSX_grid"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_COSX_grid</span></code></a>(self)</p></td>
 <td><p>Return grid used for COSX for this SCF iteration.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.CompositeJK.set_COSX_grid" title="psi4.core.CompositeJK.set_COSX_grid"><code class="xref py py-obj docutils literal notranslate"><span class="pre">set_COSX_grid</span></code></a>(self, arg0)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.CompositeJK.get_snLinK_max_am" title="psi4.core.CompositeJK.get_snLinK_max_am"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_snLinK_max_am</span></code></a>(self)</p></td>
+<td><p>Return maximum AM supported by current GauXC instance, if GauXC support is enabled.</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.CompositeJK.set_COSX_grid" title="psi4.core.CompositeJK.set_COSX_grid"><code class="xref py py-obj docutils literal notranslate"><span class="pre">set_COSX_grid</span></code></a>(self, arg0)</p></td>
 <td><p>Set grid to use for COSX for this SCF iteration.</p></td>
 </tr>
 </tbody>
@@ -163,6 +166,12 @@ <h1>CompositeJK<a class="headerlink" href="#compositejk" title="Link to this hea
 <dd><p>Return grid used for COSX for this SCF iteration.</p>
 </dd></dl>
 
+<dl class="py method">
+<dt class="sig sig-object py" id="psi4.core.CompositeJK.get_snLinK_max_am">
+<span class="sig-name descname"><span class="pre">get_snLinK_max_am</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="#psi4.core.CompositeJK" title="psi4.core.CompositeJK"><span class="pre">psi4.core.CompositeJK</span></a></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><a class="reference external" href="https://docs.python.org/3.12/library/functions.html#int" title="(in Python v3.12)"><span class="pre">int</span></a></span></span><a class="headerlink" href="#psi4.core.CompositeJK.get_snLinK_max_am" title="Link to this definition">¶</a></dt>
+<dd><p>Return maximum AM supported by current GauXC instance, if GauXC support is enabled.</p>
+</dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="psi4.core.CompositeJK.set_COSX_grid">
 <span class="sig-name descname"><span class="pre">set_COSX_grid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="#psi4.core.CompositeJK" title="psi4.core.CompositeJK"><span class="pre">psi4.core.CompositeJK</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">arg0</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.12/library/stdtypes.html#str" title="(in Python v3.12)"><span class="pre">str</span></a></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><a class="reference external" href="https://docs.python.org/3.12/library/constants.html#None" title="(in Python v3.12)"><span class="pre">None</span></a></span></span><a class="headerlink" href="#psi4.core.CompositeJK.set_COSX_grid" title="Link to this definition">¶</a></dt>
@@ -199,6 +208,7 @@ <h3><a href="../index.html">table of contents</a></h3>
 <li><a class="reference internal" href="#psi4.core.CompositeJK.clear_D_prev"><code class="docutils literal notranslate"><span class="pre">CompositeJK.clear_D_prev()</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.CompositeJK.do_incfock_iter"><code class="docutils literal notranslate"><span class="pre">CompositeJK.do_incfock_iter()</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.CompositeJK.get_COSX_grid"><code class="docutils literal notranslate"><span class="pre">CompositeJK.get_COSX_grid()</span></code></a></li>
+<li><a class="reference internal" href="#psi4.core.CompositeJK.get_snLinK_max_am"><code class="docutils literal notranslate"><span class="pre">CompositeJK.get_snLinK_max_am()</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.CompositeJK.set_COSX_grid"><code class="docutils literal notranslate"><span class="pre">CompositeJK.set_COSX_grid()</span></code></a></li>
 </ul>
 </li>
@@ -253,7 +263,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CompositeJK.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -267,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.CorrelationFactor.html b/sphinxman/master/api/psi4.core.CorrelationFactor.html
index f931f39877b..72dbe1b3a7b 100644
--- a/sphinxman/master/api/psi4.core.CorrelationFactor.html
+++ b/sphinxman/master/api/psi4.core.CorrelationFactor.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CorrelationFactor.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CorrelationFactor.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.CorrelationTable.html b/sphinxman/master/api/psi4.core.CorrelationTable.html
index d5b9e934117..6e41db3fd2f 100644
--- a/sphinxman/master/api/psi4.core.CorrelationTable.html
+++ b/sphinxman/master/api/psi4.core.CorrelationTable.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CorrelationTable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -291,7 +291,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CorrelationTable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.CubeProperties.html b/sphinxman/master/api/psi4.core.CubeProperties.html
index bed22a52a9a..e907a48a291 100644
--- a/sphinxman/master/api/psi4.core.CubeProperties.html
+++ b/sphinxman/master/api/psi4.core.CubeProperties.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CubeProperties.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CubeProperties.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DASUM.html b/sphinxman/master/api/psi4.core.DASUM.html
index 62cb2a77d0a..ff7866ea919 100644
--- a/sphinxman/master/api/psi4.core.DASUM.html
+++ b/sphinxman/master/api/psi4.core.DASUM.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.DASUM.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.DASUM.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DAXPY.html b/sphinxman/master/api/psi4.core.DAXPY.html
index 49a906fca9b..9141f045d31 100644
--- a/sphinxman/master/api/psi4.core.DAXPY.html
+++ b/sphinxman/master/api/psi4.core.DAXPY.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 96b42693c91..f08d636ef31 100644
--- a/sphinxman/master/api/psi4.core.DCOPY.html
+++ b/sphinxman/master/api/psi4.core.DCOPY.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f58e129cf9e..f57b976a20b 100644
--- a/sphinxman/master/api/psi4.core.DDOT.html
+++ b/sphinxman/master/api/psi4.core.DDOT.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7f58d20ebcf..d2e956e237f 100644
--- a/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
+++ b/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.core.DFHelper.html b/sphinxman/master/api/psi4.core.DFHelper.html
index 7c9a8b5466d..5988d9a8b5e 100644
--- a/sphinxman/master/api/psi4.core.DFHelper.html
+++ b/sphinxman/master/api/psi4.core.DFHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -452,7 +452,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -466,7 +466,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DFSOMCSCF.html b/sphinxman/master/api/psi4.core.DFSOMCSCF.html
index ea0174edfd7..6d8b61ef9fb 100644
--- a/sphinxman/master/api/psi4.core.DFSOMCSCF.html
+++ b/sphinxman/master/api/psi4.core.DFSOMCSCF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DFTGrid.html b/sphinxman/master/api/psi4.core.DFTGrid.html
index ee681cba626..ad508a1a8e3 100644
--- a/sphinxman/master/api/psi4.core.DFTGrid.html
+++ b/sphinxman/master/api/psi4.core.DFTGrid.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e8030ea2fa4..b0662cb69de 100644
--- a/sphinxman/master/api/psi4.core.DFTensor.html
+++ b/sphinxman/master/api/psi4.core.DFTensor.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cd223b954e6..a5f5ce2760f 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4a3cb2725bb..c7ea01e23d2 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index cd5f9240215..30c74f0007e 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index dd924de4711..2d7157797b4 100644
--- a/sphinxman/master/api/psi4.core.DGETRF.html
+++ b/sphinxman/master/api/psi4.core.DGETRF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7bf002cd9bd..e3095896f1e 100644
--- a/sphinxman/master/api/psi4.core.DGETRI.html
+++ b/sphinxman/master/api/psi4.core.DGETRI.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e0bc4f6576f..37017b9b77b 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9f3b0dd8b6c..d0f4647b059 100644
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+++ b/sphinxman/master/api/psi4.core.DPOTRS.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c7b43f5a6ce..eae13bd492d 100644
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+++ b/sphinxman/master/api/psi4.core.DROT.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 45b23994643..d8456e1b655 100644
--- a/sphinxman/master/api/psi4.core.DSBMV.html
+++ b/sphinxman/master/api/psi4.core.DSBMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 72628c4edd0..86fe8d9beed 100644
--- a/sphinxman/master/api/psi4.core.DSCAL.html
+++ b/sphinxman/master/api/psi4.core.DSCAL.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dedb46a18c3..90f26956c33 100644
--- a/sphinxman/master/api/psi4.core.DSWAP.html
+++ b/sphinxman/master/api/psi4.core.DSWAP.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e8dbc38a6c4..19746deeadd 100644
--- a/sphinxman/master/api/psi4.core.DSYEV.html
+++ b/sphinxman/master/api/psi4.core.DSYEV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index dda287b265f..43e865c71f7 100644
--- a/sphinxman/master/api/psi4.core.DSYMM.html
+++ b/sphinxman/master/api/psi4.core.DSYMM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DSYMV.html b/sphinxman/master/api/psi4.core.DSYMV.html
index 5d432fc2bf7..f55d1c62b98 100644
--- a/sphinxman/master/api/psi4.core.DSYMV.html
+++ b/sphinxman/master/api/psi4.core.DSYMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d55b66e2983..90418390c16 100644
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+++ b/sphinxman/master/api/psi4.core.DTBMV.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0b044ad93f4..0250098c9ea 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.DTRMM.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 97ee3f04408..ecb013f38cd 100644
--- a/sphinxman/master/api/psi4.core.DTRMV.html
+++ b/sphinxman/master/api/psi4.core.DTRMV.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9ca2beb0462..2a017f3587a 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 493857356cd..f19391668e6 100644
--- a/sphinxman/master/api/psi4.core.DTRSV.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 69026e5ec2a..d5a74741843 100644
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+++ b/sphinxman/master/api/psi4.core.Deriv.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8c647252125..fca8e8f663f 100644
--- a/sphinxman/master/api/psi4.core.DerivCalcType.html
+++ b/sphinxman/master/api/psi4.core.DerivCalcType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -251,7 +251,7 @@ <h3>Navigation</h3>
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@@ -265,7 +265,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -447,7 +447,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.ESPPropCalc.html
+++ b/sphinxman/master/api/psi4.core.ESPPropCalc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 327376b4dfb..3a12a11bc90 100644
--- a/sphinxman/master/api/psi4.core.ElectricFieldInt.html
+++ b/sphinxman/master/api/psi4.core.ElectricFieldInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4a5521b13ac..cc64a97b10d 100644
--- a/sphinxman/master/api/psi4.core.ElectrostaticInt.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 1abf5a719e6..1f3a5475625 100644
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+++ b/sphinxman/master/api/psi4.core.ExternalPotential.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -323,7 +323,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 44881dcb901..fa8a4a68223 100644
--- a/sphinxman/master/api/psi4.core.FCHKWriter.html
+++ b/sphinxman/master/api/psi4.core.FCHKWriter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.FDDS_Dispersion.html b/sphinxman/master/api/psi4.core.FDDS_Dispersion.html
index 4cba8ba4298..3de60e4ac5f 100644
--- a/sphinxman/master/api/psi4.core.FDDS_Dispersion.html
+++ b/sphinxman/master/api/psi4.core.FDDS_Dispersion.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FDDS_Dispersion.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -313,7 +313,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -327,7 +327,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.FISAPT.html b/sphinxman/master/api/psi4.core.FISAPT.html
index 3c0c85619bd..85bf7e7fc8d 100644
--- a/sphinxman/master/api/psi4.core.FISAPT.html
+++ b/sphinxman/master/api/psi4.core.FISAPT.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FISAPT.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -503,7 +503,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FISAPT.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -517,7 +517,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html b/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
index 4b205bc2268..4ec2f4a8e98 100644
--- a/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
+++ b/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FittedSlaterCorrelationFactor.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FittedSlaterCorrelationFactor.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.FittingMetric.html b/sphinxman/master/api/psi4.core.FittingMetric.html
index 3da57e87a1b..68e01f31c5c 100644
--- a/sphinxman/master/api/psi4.core.FittingMetric.html
+++ b/sphinxman/master/api/psi4.core.FittingMetric.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FittingMetric.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -323,7 +323,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FittingMetric.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.FragmentType.html b/sphinxman/master/api/psi4.core.FragmentType.html
index 01363baba37..6a9ca391229 100644
--- a/sphinxman/master/api/psi4.core.FragmentType.html
+++ b/sphinxman/master/api/psi4.core.FragmentType.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FragmentType.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -264,7 +264,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FragmentType.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.Functional.html b/sphinxman/master/api/psi4.core.Functional.html
index 63c0c794765..625282618b2 100644
--- a/sphinxman/master/api/psi4.core.Functional.html
+++ b/sphinxman/master/api/psi4.core.Functional.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.Functional.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -473,7 +473,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.Functional.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -487,7 +487,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.GaussianShell.html b/sphinxman/master/api/psi4.core.GaussianShell.html
index 94c2f9bbcc2..cb090670b94 100644
--- a/sphinxman/master/api/psi4.core.GaussianShell.html
+++ b/sphinxman/master/api/psi4.core.GaussianShell.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.GaussianShell.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -162,19 +162,22 @@ <h1>GaussianShell<a class="headerlink" href="#gaussianshell" title="Link to this
 <tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.coef" title="psi4.core.GaussianShell.coef"><code class="xref py py-obj docutils literal notranslate"><span class="pre">coef</span></code></a>(self, pi)</p></td>
 <td><p>Return coefficient of the pi'th primitive</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.erd_coef" title="psi4.core.GaussianShell.erd_coef"><code class="xref py py-obj docutils literal notranslate"><span class="pre">erd_coef</span></code></a>(self, pi)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.coord" title="psi4.core.GaussianShell.coord"><code class="xref py py-obj docutils literal notranslate"><span class="pre">coord</span></code></a>(self, arg0)</p></td>
+<td><p>Returns ith coordinate this shell is on.</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.erd_coef" title="psi4.core.GaussianShell.erd_coef"><code class="xref py py-obj docutils literal notranslate"><span class="pre">erd_coef</span></code></a>(self, pi)</p></td>
 <td><p>Return ERD normalized coefficient of pi'th primitive</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.exp" title="psi4.core.GaussianShell.exp"><code class="xref py py-obj docutils literal notranslate"><span class="pre">exp</span></code></a>(self, prim)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.exp" title="psi4.core.GaussianShell.exp"><code class="xref py py-obj docutils literal notranslate"><span class="pre">exp</span></code></a>(self, prim)</p></td>
 <td><p>Returns the exponent of the given primitive</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.is_cartesian" title="psi4.core.GaussianShell.is_cartesian"><code class="xref py py-obj docutils literal notranslate"><span class="pre">is_cartesian</span></code></a>(self)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.is_cartesian" title="psi4.core.GaussianShell.is_cartesian"><code class="xref py py-obj docutils literal notranslate"><span class="pre">is_cartesian</span></code></a>(self)</p></td>
 <td><p>Returns true if the contraction is Cartesian</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.is_pure" title="psi4.core.GaussianShell.is_pure"><code class="xref py py-obj docutils literal notranslate"><span class="pre">is_pure</span></code></a>(self)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.is_pure" title="psi4.core.GaussianShell.is_pure"><code class="xref py py-obj docutils literal notranslate"><span class="pre">is_pure</span></code></a>(self)</p></td>
 <td><p>Returns true if the contraction is pure, i.e. a spherical harmonic basis function.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.original_coef" title="psi4.core.GaussianShell.original_coef"><code class="xref py py-obj docutils literal notranslate"><span class="pre">original_coef</span></code></a>(self, pi)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#psi4.core.GaussianShell.original_coef" title="psi4.core.GaussianShell.original_coef"><code class="xref py py-obj docutils literal notranslate"><span class="pre">original_coef</span></code></a>(self, pi)</p></td>
 <td><p>Return unnormalized coefficient of the pi'th primitive</p></td>
 </tr>
 </tbody>
@@ -235,6 +238,12 @@ <h1>GaussianShell<a class="headerlink" href="#gaussianshell" title="Link to this
 <dd><p>Return coefficient of the pi’th primitive</p>
 </dd></dl>
 
+<dl class="py method">
+<dt class="sig sig-object py" id="psi4.core.GaussianShell.coord">
+<span class="sig-name descname"><span class="pre">coord</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="#psi4.core.GaussianShell" title="psi4.core.GaussianShell"><span class="pre">psi4.core.GaussianShell</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">arg0</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.12/library/functions.html#int" title="(in Python v3.12)"><span class="pre">int</span></a></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><a class="reference external" href="https://docs.python.org/3.12/library/functions.html#float" title="(in Python v3.12)"><span class="pre">float</span></a></span></span><a class="headerlink" href="#psi4.core.GaussianShell.coord" title="Link to this definition">¶</a></dt>
+<dd><p>Returns ith coordinate this shell is on.</p>
+</dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="psi4.core.GaussianShell.erd_coef">
 <span class="sig-name descname"><span class="pre">erd_coef</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="#psi4.core.GaussianShell" title="psi4.core.GaussianShell"><span class="pre">psi4.core.GaussianShell</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">pi</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.12/library/functions.html#int" title="(in Python v3.12)"><span class="pre">int</span></a></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><a class="reference external" href="https://docs.python.org/3.12/library/functions.html#float" title="(in Python v3.12)"><span class="pre">float</span></a></span></span><a class="headerlink" href="#psi4.core.GaussianShell.erd_coef" title="Link to this definition">¶</a></dt>
@@ -301,6 +310,7 @@ <h3><a href="../index.html">table of contents</a></h3>
 <li><a class="reference internal" href="#psi4.core.GaussianShell.nfunction"><code class="docutils literal notranslate"><span class="pre">GaussianShell.nfunction</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.GaussianShell.nprimitive"><code class="docutils literal notranslate"><span class="pre">GaussianShell.nprimitive</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.GaussianShell.coef"><code class="docutils literal notranslate"><span class="pre">GaussianShell.coef()</span></code></a></li>
+<li><a class="reference internal" href="#psi4.core.GaussianShell.coord"><code class="docutils literal notranslate"><span class="pre">GaussianShell.coord()</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.GaussianShell.erd_coef"><code class="docutils literal notranslate"><span class="pre">GaussianShell.erd_coef()</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.GaussianShell.exp"><code class="docutils literal notranslate"><span class="pre">GaussianShell.exp()</span></code></a></li>
 <li><a class="reference internal" href="#psi4.core.GaussianShell.is_cartesian"><code class="docutils literal notranslate"><span class="pre">GaussianShell.is_cartesian()</span></code></a></li>
@@ -359,7 +369,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.GaussianShell.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -373,7 +383,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.GaussianType.html b/sphinxman/master/api/psi4.core.GaussianType.html
index 7451e6ddba4..d8dc2a8bda9 100644
--- a/sphinxman/master/api/psi4.core.GaussianType.html
+++ b/sphinxman/master/api/psi4.core.GaussianType.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.GaussianType.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.GaussianType.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.GeometryUnits.html b/sphinxman/master/api/psi4.core.GeometryUnits.html
index 408c1ec3c9c..ad81f7ebfd6 100644
--- a/sphinxman/master/api/psi4.core.GeometryUnits.html
+++ b/sphinxman/master/api/psi4.core.GeometryUnits.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.GeometryUnits.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.HF.html b/sphinxman/master/api/psi4.core.HF.html
index 092ddf4ec8d..46f78384698 100644
--- a/sphinxman/master/api/psi4.core.HF.html
+++ b/sphinxman/master/api/psi4.core.HF.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.HF.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -990,7 +990,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.HF.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1004,7 +1004,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.IDAMAX.html b/sphinxman/master/api/psi4.core.IDAMAX.html
index dc94a6ca349..2172316d0c4 100644
--- a/sphinxman/master/api/psi4.core.IDAMAX.html
+++ b/sphinxman/master/api/psi4.core.IDAMAX.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.IO.html b/sphinxman/master/api/psi4.core.IO.html
index 6841083aa25..4302a185c77 100644
--- a/sphinxman/master/api/psi4.core.IO.html
+++ b/sphinxman/master/api/psi4.core.IO.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -383,7 +383,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ff97e535b5b..e7dd56d4189 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -406,7 +406,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -527,7 +527,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -615,7 +615,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -581,7 +581,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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--- a/sphinxman/master/api/psi4.core.LS_THC_Computer.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -340,7 +340,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index dc39ae19fcd..62e92ce91b4 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index dfe677ed26c..738ea9079d6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -1145,7 +1145,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -1103,7 +1103,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1117,7 +1117,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -1782,7 +1782,7 @@ <h3>Navigation</h3>
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@@ -1796,7 +1796,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -378,7 +378,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -392,7 +392,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0e7159325c3..3e86b355862 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c5c51d3af76..e9cf78e2f66 100644
--- a/sphinxman/master/api/psi4.core.Options.html
+++ b/sphinxman/master/api/psi4.core.Options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -451,7 +451,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -465,7 +465,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 73bb3858d7a..e18eb2fcbf4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9c67ffcc650..de5c43ac06b 100644
--- a/sphinxman/master/api/psi4.core.PMLocalizer.html
+++ b/sphinxman/master/api/psi4.core.PMLocalizer.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6193221ded0..723a3e31dfd 100644
--- a/sphinxman/master/api/psi4.core.PetiteList.html
+++ b/sphinxman/master/api/psi4.core.PetiteList.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.PointFunctions.html b/sphinxman/master/api/psi4.core.PointFunctions.html
index f579905a34e..7dd0e1663fd 100644
--- a/sphinxman/master/api/psi4.core.PointFunctions.html
+++ b/sphinxman/master/api/psi4.core.PointFunctions.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -291,7 +291,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/api/psi4.core.PsiReturnType.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -308,7 +308,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f5cf8979572..9bc11d576ba 100644
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+++ b/sphinxman/master/api/psi4.core.SOBasisSet.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 628de69fc16..e28e75aa92a 100644
--- a/sphinxman/master/api/psi4.core.SOMCSCF.html
+++ b/sphinxman/master/api/psi4.core.SOMCSCF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -384,7 +384,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -398,7 +398,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7987eecdf7d..2bcc19e0bce 100644
--- a/sphinxman/master/api/psi4.core.SalcComponent.html
+++ b/sphinxman/master/api/psi4.core.SalcComponent.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c688aadf336..cd02fe88458 100644
--- a/sphinxman/master/api/psi4.core.SaveType.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 273ac96ed16..6cf0755c948 100644
--- a/sphinxman/master/api/psi4.core.ShellInfo.html
+++ b/sphinxman/master/api/psi4.core.ShellInfo.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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index 48180709db5..f9308a63408 100644
--- a/sphinxman/master/api/psi4.core.Slice.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0cec9235e94..e5bc094f6d2 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index dbbd73d9c56..f1442f4deee 100644
--- a/sphinxman/master/api/psi4.core.SymmetryOperation.html
+++ b/sphinxman/master/api/psi4.core.SymmetryOperation.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.TLaplaceDenominator.html
+++ b/sphinxman/master/api/psi4.core.TLaplaceDenominator.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.ThreeCenterOverlapInt.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0a73d7cf75d..be6ef5151eb 100644
--- a/sphinxman/master/api/psi4.core.UHF.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -274,7 +274,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7c3500251d4..9d81a383944 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -456,7 +456,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -470,7 +470,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c9fcbbf336e..c1ffdaee886 100644
--- a/sphinxman/master/api/psi4.core.Vector.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -672,7 +672,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -686,7 +686,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6a91aeb0f51..62606afa001 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -1646,7 +1646,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1660,7 +1660,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 33619757e5f..26950d57e86 100644
--- a/sphinxman/master/api/psi4.core.array_variable.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b69daecada8..dc09febb685 100644
--- a/sphinxman/master/api/psi4.core.array_variables.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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index 79b2831c3c7..7204cea5eae 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.benchmark_blas1.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.benchmark_blas2.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.benchmark_blas3.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7e552cb9ef5..d3c03220f8f 100644
--- a/sphinxman/master/api/psi4.core.benchmark_integrals.html
+++ b/sphinxman/master/api/psi4.core.benchmark_integrals.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3a2ee2d88ae..6f9f34cada0 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 81ab76c620f..bec99e7fef7 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.ccresponse.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9df0455659a..48fc29ce55c 100644
--- a/sphinxman/master/api/psi4.core.clean_options.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 08b4f3743ff..c16458fb2ab 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 731158a9558..de7fb99dec0 100644
--- a/sphinxman/master/api/psi4.core.clean_variables.html
+++ b/sphinxman/master/api/psi4.core.clean_variables.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1bb6768dd0e..ee3615404fa 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d0995a4e3cf..db91ee34836 100644
--- a/sphinxman/master/api/psi4.core.dfocc.html
+++ b/sphinxman/master/api/psi4.core.dfocc.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7b6d8263f42..fc9f75150d5 100644
--- a/sphinxman/master/api/psi4.core.dlpno.html
+++ b/sphinxman/master/api/psi4.core.dlpno.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8e34309971c..f501ca0fefd 100644
--- a/sphinxman/master/api/psi4.core.dmrg.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 215221ed6ce..226bf720e92 100644
--- a/sphinxman/master/api/psi4.core.doublet.html
+++ b/sphinxman/master/api/psi4.core.doublet.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9412aaf835c..1df9fa2e52c 100644
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+++ b/sphinxman/master/api/psi4.core.dpdbuf4.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -253,7 +253,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8a7c10908a6..fa027f773bb 100644
--- a/sphinxman/master/api/psi4.core.dpdfile2.html
+++ b/sphinxman/master/api/psi4.core.dpdfile2.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -253,7 +253,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 2fe01d2de52..ec85a9bcf30 100644
--- a/sphinxman/master/api/psi4.core.dummy_einsums.html
+++ b/sphinxman/master/api/psi4.core.dummy_einsums.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.get_datadir.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index a7bccb815d8..9260c9bbf3d 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.get_num_threads.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.get_output_file.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1650aa2f89b..16c241c22d6 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index bcd270feec3..2495fc1e0d4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 77962b3532f..af86466dea6 100644
--- a/sphinxman/master/api/psi4.core.git_version.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.git_version.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index de391fc112c..50b58a1d4b4 100644
--- a/sphinxman/master/api/psi4.core.has_array_variable.html
+++ b/sphinxman/master/api/psi4.core.has_array_variable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3401152a0fa..3fd99e67544 100644
--- a/sphinxman/master/api/psi4.core.has_global_option_changed.html
+++ b/sphinxman/master/api/psi4.core.has_global_option_changed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/api/psi4.core.has_local_option_changed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.has_local_option_changed.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.has_option_changed.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9d9733c2b37..d85a9af9af6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.initialize.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 086670c5708..7c7b1f1f4bd 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/api/psi4.core.mrcc_generate_input.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.mrcc_load_densities.html
+++ b/sphinxman/master/api/psi4.core.mrcc_load_densities.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.option_exists_in_module.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.options_to_python.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 099cf6d1680..080f4d477d6 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c288ae5500e..ac1739d6c4a 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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--- a/sphinxman/master/api/psi4.core.plugin_load.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1b37c1093aa..f7497a65b23 100644
--- a/sphinxman/master/api/psi4.core.prepare_options_for_module.html
+++ b/sphinxman/master/api/psi4.core.prepare_options_for_module.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.print_global_options.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.print_options.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5c519d2599d..67a68fca582 100644
--- a/sphinxman/master/api/psi4.core.print_out.html
+++ b/sphinxman/master/api/psi4.core.print_out.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 90e0de29297..0a0316753cc 100644
--- a/sphinxman/master/api/psi4.core.print_variables.html
+++ b/sphinxman/master/api/psi4.core.print_variables.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 635d34eec16..0fed347f323 100644
--- a/sphinxman/master/api/psi4.core.psi_top_srcdir.html
+++ b/sphinxman/master/api/psi4.core.psi_top_srcdir.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cc19934808d..e572cda6bd9 100644
--- a/sphinxman/master/api/psi4.core.psimrcc.html
+++ b/sphinxman/master/api/psi4.core.psimrcc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3423e31e914..a556a6b8189 100644
--- a/sphinxman/master/api/psi4.core.psio_entry.html
+++ b/sphinxman/master/api/psi4.core.psio_entry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b39b3a8f9a2..82a462ca29b 100644
--- a/sphinxman/master/api/psi4.core.reopen_outfile.html
+++ b/sphinxman/master/api/psi4.core.reopen_outfile.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 70a4533c756..6ff8d3ab781 100644
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+++ b/sphinxman/master/api/psi4.core.revoke_global_option_changed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e35fa67106d..ff86db594d2 100644
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+++ b/sphinxman/master/api/psi4.core.revoke_local_option_changed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.sapt.html b/sphinxman/master/api/psi4.core.sapt.html
index b2ded648a51..07b7de53876 100644
--- a/sphinxman/master/api/psi4.core.sapt.html
+++ b/sphinxman/master/api/psi4.core.sapt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dda2d96f8b1..656020e2698 100644
--- a/sphinxman/master/api/psi4.core.timer_on.html
+++ b/sphinxman/master/api/psi4.core.timer_on.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 054a7f2320e..0089edebc41 100644
--- a/sphinxman/master/api/psi4.core.triplet.html
+++ b/sphinxman/master/api/psi4.core.triplet.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7a9b28e3fb6..68454f71b58 100644
--- a/sphinxman/master/api/psi4.core.tstart.html
+++ b/sphinxman/master/api/psi4.core.tstart.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/api/psi4.core.tstop.html b/sphinxman/master/api/psi4.core.tstop.html
index f1b4f0dd531..e2b018382ed 100644
--- a/sphinxman/master/api/psi4.core.tstop.html
+++ b/sphinxman/master/api/psi4.core.tstop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.variable.html b/sphinxman/master/api/psi4.core.variable.html
index ba1028aa803..55d50d6cad7 100644
--- a/sphinxman/master/api/psi4.core.variable.html
+++ b/sphinxman/master/api/psi4.core.variable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.variable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.variable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.variables.html b/sphinxman/master/api/psi4.core.variables.html
index 02f2a7d0691..6b6a47f8cd1 100644
--- a/sphinxman/master/api/psi4.core.variables.html
+++ b/sphinxman/master/api/psi4.core.variables.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -595,7 +595,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -483,7 +483,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.ManagedMethodError.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -236,7 +236,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f456abdf78e..0ab9bb2c0c6 100644
--- a/sphinxman/master/api/psi4.driver.PastureRequiredError.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.PsiException.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b845d555f65..d30dd2d733b 100644
--- a/sphinxman/master/api/psi4.driver.QMMM.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b874e44a4f3..622af911e74 100644
--- a/sphinxman/master/api/psi4.driver.QMMMbohr.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -271,7 +271,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.SCFConvergenceError.html b/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
index ba841ceaa20..e1e4c0ffa12 100644
--- a/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 77f219ee88d..bb81d94baa2 100644
--- a/sphinxman/master/api/psi4.driver.TDSCFConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.TDSCFConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -265,7 +265,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c32c0e147dd..6bad935f5c6 100644
--- a/sphinxman/master/api/psi4.driver.TestComparisonError.html
+++ b/sphinxman/master/api/psi4.driver.TestComparisonError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -232,7 +232,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 2659448ab2e..ddaafa7c2dc 100644
--- a/sphinxman/master/api/psi4.driver.UpgradeHelper.html
+++ b/sphinxman/master/api/psi4.driver.UpgradeHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.ValidationError.html b/sphinxman/master/api/psi4.driver.ValidationError.html
index 76ceabbfa45..a6342d020fb 100644
--- a/sphinxman/master/api/psi4.driver.ValidationError.html
+++ b/sphinxman/master/api/psi4.driver.ValidationError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.ValidationError.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.activate.html b/sphinxman/master/api/psi4.driver.activate.html
index 91d8a67b5a9..60773bf7906 100644
--- a/sphinxman/master/api/psi4.driver.activate.html
+++ b/sphinxman/master/api/psi4.driver.activate.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.activate.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.banner.html b/sphinxman/master/api/psi4.driver.banner.html
index 75afdfcb567..54a0772de6f 100644
--- a/sphinxman/master/api/psi4.driver.banner.html
+++ b/sphinxman/master/api/psi4.driver.banner.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.banner.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.basis_helper.html b/sphinxman/master/api/psi4.driver.basis_helper.html
index 5ca9fdc3783..d44046f5ba7 100644
--- a/sphinxman/master/api/psi4.driver.basis_helper.html
+++ b/sphinxman/master/api/psi4.driver.basis_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.compare_fcidumps.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.compare_moldenfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_moldenfiles.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.driver.copy_file_from_scratch.html
+++ b/sphinxman/master/api/psi4.driver.copy_file_from_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6f652186afb..06074004803 100644
--- a/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
+++ b/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6521a5f8ade..16e388a0d19 100644
--- a/sphinxman/master/api/psi4.driver.create_plugin.html
+++ b/sphinxman/master/api/psi4.driver.create_plugin.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c0016929a91..4db08434b26 100644
--- a/sphinxman/master/api/psi4.driver.cubeprop.html
+++ b/sphinxman/master/api/psi4.driver.cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 06630d8d9c2..a534bb864be 100644
--- a/sphinxman/master/api/psi4.driver.docs_table_link.html
+++ b/sphinxman/master/api/psi4.driver.docs_table_link.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html b/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
index c8832748c26..6d53c3d6dac 100644
--- a/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
+++ b/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 05c40c0d07c..592f842be9d 100644
--- a/sphinxman/master/api/psi4.driver.energies_from_fcidump.html
+++ b/sphinxman/master/api/psi4.driver.energies_from_fcidump.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.energy.html b/sphinxman/master/api/psi4.driver.energy.html
index cc0f2263738..2ffee259efb 100644
--- a/sphinxman/master/api/psi4.driver.energy.html
+++ b/sphinxman/master/api/psi4.driver.energy.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energy.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2768,7 +2768,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2782,7 +2782,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.fchk.html b/sphinxman/master/api/psi4.driver.fchk.html
index bc4edf87db1..664f5df6a74 100644
--- a/sphinxman/master/api/psi4.driver.fchk.html
+++ b/sphinxman/master/api/psi4.driver.fchk.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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index b5ef24a29a4..7da4857258e 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.fcidump_from_file.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0c20c0d4185..c9149f8f7fb 100644
--- a/sphinxman/master/api/psi4.driver.gdma.html
+++ b/sphinxman/master/api/psi4.driver.gdma.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c18e37547cb..1a8865a2dd4 100644
--- a/sphinxman/master/api/psi4.driver.geometry.html
+++ b/sphinxman/master/api/psi4.driver.geometry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.geometry.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 31f59381804..26a9d71c4d1 100644
--- a/sphinxman/master/api/psi4.driver.get_memory.html
+++ b/sphinxman/master/api/psi4.driver.get_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.gradient.html b/sphinxman/master/api/psi4.driver.gradient.html
index d2483567e4e..99de6b69d52 100644
--- a/sphinxman/master/api/psi4.driver.gradient.html
+++ b/sphinxman/master/api/psi4.driver.gradient.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.gradient.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 4adb43c2885..d7d6195675f 100644
--- a/sphinxman/master/api/psi4.driver.hessian.html
+++ b/sphinxman/master/api/psi4.driver.hessian.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.hessian.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6e470415165..ac95e80b050 100644
--- a/sphinxman/master/api/psi4.driver.ipi_broker.html
+++ b/sphinxman/master/api/psi4.driver.ipi_broker.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.ipi_broker.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.levenshtein.html b/sphinxman/master/api/psi4.driver.levenshtein.html
index d8392faa4af..83c7b2a255c 100644
--- a/sphinxman/master/api/psi4.driver.levenshtein.html
+++ b/sphinxman/master/api/psi4.driver.levenshtein.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.levenshtein.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 46a2c95b20c..8ddcda24031 100644
--- a/sphinxman/master/api/psi4.driver.libint2_configuration.html
+++ b/sphinxman/master/api/psi4.driver.libint2_configuration.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.libint2_print_out.html
+++ b/sphinxman/master/api/psi4.driver.libint2_print_out.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 992362e1a0a..9ffb7858e18 100644
--- a/sphinxman/master/api/psi4.driver.mdi_run.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 811a8d0e0db..99f619713b4 100644
--- a/sphinxman/master/api/psi4.driver.message_box.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index fde54e6e95f..de5419f30d6 100644
--- a/sphinxman/master/api/psi4.driver.molden.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -281,7 +281,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1fc9bce3138..23c5cd436e7 100644
--- a/sphinxman/master/api/psi4.driver.molecule_get_attr.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 63bfdf1053b..b85e046ce75 100644
--- a/sphinxman/master/api/psi4.driver.molecule_set_attr.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.oeprop.html
+++ b/sphinxman/master/api/psi4.driver.oeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.opt.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -1535,7 +1535,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 496f98ea890..f4a5efd18a2 100644
--- a/sphinxman/master/api/psi4.driver.optimize.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1535,7 +1535,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f5d613b58c3..4aec8432867 100644
--- a/sphinxman/master/api/psi4.driver.optimize_geometric.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 74b6c95012c..3c4ebffd6e5 100644
--- a/sphinxman/master/api/psi4.driver.p4util.DIIS.html
+++ b/sphinxman/master/api/psi4.driver.p4util.DIIS.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -262,7 +262,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -276,7 +276,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4a29fde5265..a5c4ec83955 100644
--- a/sphinxman/master/api/psi4.driver.p4util.Gaussian.html
+++ b/sphinxman/master/api/psi4.driver.p4util.Gaussian.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b9aa184c6d9..a3bd1ba34c1 100644
--- a/sphinxman/master/api/psi4.driver.p4util.InPsight.html
+++ b/sphinxman/master/api/psi4.driver.p4util.InPsight.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -498,7 +498,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -512,7 +512,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 539b9b822a3..57e38487e3a 100644
--- a/sphinxman/master/api/psi4.driver.p4util.Lineshape.html
+++ b/sphinxman/master/api/psi4.driver.p4util.Lineshape.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -272,7 +272,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -286,7 +286,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 74c9fe3d52c..ae65e2d7641 100644
--- a/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html
+++ b/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 23b23c2c81a..0168d9413be 100644
--- a/sphinxman/master/api/psi4.driver.p4util.OptionState.html
+++ b/sphinxman/master/api/psi4.driver.p4util.OptionState.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 1ae696e9418..2ebc736c0e6 100644
--- a/sphinxman/master/api/psi4.driver.p4util.OptionsState.html
+++ b/sphinxman/master/api/psi4.driver.p4util.OptionsState.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -259,7 +259,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -273,7 +273,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0a563474671..0524bcca11b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.OptionsStateCM.html
+++ b/sphinxman/master/api/psi4.driver.p4util.OptionsStateCM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.p4util.SolverEngine.html b/sphinxman/master/api/psi4.driver.p4util.SolverEngine.html
index efa7af12a0e..122b90fc341 100644
--- a/sphinxman/master/api/psi4.driver.p4util.SolverEngine.html
+++ b/sphinxman/master/api/psi4.driver.p4util.SolverEngine.html
@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -450,7 +450,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.block_diagonal_array.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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--- a/sphinxman/master/api/psi4.driver.p4util.compare_fchkfiles.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.compare_moldenfiles.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ef893852fb7..1ee23ad9d83 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1cd63e0ee4d..bcf4b7ded6d 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d02286da027..b21066887b6 100644
--- a/sphinxman/master/api/psi4.driver.p4util.cubeprop.html
+++ b/sphinxman/master/api/psi4.driver.p4util.cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 3fe41a8d3f7..edeaf2980dd 100644
--- a/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html
+++ b/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 68ab1851e37..ba608e6501e 100644
--- a/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html
+++ b/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1a9ec58e90f..e3fddb5ce98 100644
--- a/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
+++ b/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d60c759e569..406a2d5587a 100644
--- a/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
+++ b/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 01013c14834..534924e2e6f 100644
--- a/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
+++ b/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.fcidump.html b/sphinxman/master/api/psi4.driver.p4util.fcidump.html
index fcfc6ad52ff..6fb08a5ed1d 100644
--- a/sphinxman/master/api/psi4.driver.p4util.fcidump.html
+++ b/sphinxman/master/api/psi4.driver.p4util.fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html b/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
index 473d22539aa..28e12ac34d7 100644
--- a/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
+++ b/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.fcidump_from_file.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.fcidump_from_file.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html b/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html
index a3dbf30b885..4c042eb083d 100644
--- a/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html
+++ b/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.find_approximate_string_matches.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.find_approximate_string_matches.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html b/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html
index bc185a8f6e7..ba3508a2bf8 100644
--- a/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html
+++ b/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_molecule_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_molecule_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html b/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html
index 5e2d76480d8..3d8d1088606 100644
--- a/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html
+++ b/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_options_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_options_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html b/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html
index e4fbb665ef1..578ba672d10 100644
--- a/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html
+++ b/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.free_atom_volumes.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.free_atom_volumes.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.get_memory.html b/sphinxman/master/api/psi4.driver.p4util.get_memory.html
index d2fd484ea8b..824fd889ea7 100644
--- a/sphinxman/master/api/psi4.driver.p4util.get_memory.html
+++ b/sphinxman/master/api/psi4.driver.p4util.get_memory.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.get_psifile.html b/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
index d0aab4636cb..274eb068397 100644
--- a/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
+++ b/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -124,7 +124,7 @@ <h3>Navigation</h3>
 <h1>get_psifile<a class="headerlink" href="#get-psifile" title="Link to this heading">¶</a></h1>
 <dl class="py function">
 <dt class="sig sig-object py" id="psi4.driver.p4util.get_psifile">
-<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11565'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
+<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11528'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
 <dd><p>Form full path and filename for psi scratch file.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html b/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
index e0d27558cac..0156df477bc 100644
--- a/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
+++ b/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html b/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
index 530f5554112..ce4ada7d423 100644
--- a/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
+++ b/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hamiltonian_solver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -270,7 +270,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hamiltonian_solver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -284,7 +284,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html b/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
index 3b3b06c4d72..52df4834f68 100644
--- a/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
+++ b/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hold_options_state.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hold_options_state.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html b/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
index 1dc61ac3d73..ef737edd310 100644
--- a/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
+++ b/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.import_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.import_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html b/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
index 67f5b99abae..83faa0d98bc 100644
--- a/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
+++ b/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.kwargs_lower.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.kwargs_lower.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.levenshtein.html b/sphinxman/master/api/psi4.driver.p4util.levenshtein.html
index 687867eaf26..2932abeb71f 100644
--- a/sphinxman/master/api/psi4.driver.p4util.levenshtein.html
+++ b/sphinxman/master/api/psi4.driver.p4util.levenshtein.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.levenshtein.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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--- a/sphinxman/master/api/psi4.driver.p4util.libint2_configuration.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 47255ab14d4..3f089f4a864 100644
--- a/sphinxman/master/api/psi4.driver.p4util.pcm_helper.html
+++ b/sphinxman/master/api/psi4.driver.p4util.pcm_helper.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ac0db695bb3..a220625f30c 100644
--- a/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
+++ b/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 490db51613c..507fb62e7e0 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d39105b04f9..e23edd15481 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6f0ed31b9fe..f7336347bca 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_set_options.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e33420e3ddf..d46622ac55c 100644
--- a/sphinxman/master/api/psi4.driver.p4util.provenance_stamp.html
+++ b/sphinxman/master/api/psi4.driver.p4util.provenance_stamp.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html b/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
index d51860dcbb8..5b795b14344 100644
--- a/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
+++ b/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 45c1ee1b2e6..89b21885d50 100644
--- a/sphinxman/master/api/psi4.driver.p4util.set_memory.html
+++ b/sphinxman/master/api/psi4.driver.p4util.set_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -258,7 +258,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f89032060ed..4b61119f823 100644
--- a/sphinxman/master/api/psi4.driver.p4util.set_module_options.html
+++ b/sphinxman/master/api/psi4.driver.p4util.set_module_options.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.set_options.html
+++ b/sphinxman/master/api/psi4.driver.p4util.set_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.driver.p4util.spectrum.html
+++ b/sphinxman/master/api/psi4.driver.p4util.spectrum.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -281,7 +281,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 954926ab3d6..567c0ffb031 100644
--- a/sphinxman/master/api/psi4.driver.p4util.state_to_atomicinput.html
+++ b/sphinxman/master/api/psi4.driver.p4util.state_to_atomicinput.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index cf33688f95a..0d9852cb385 100644
--- a/sphinxman/master/api/psi4.driver.pcm_helper.html
+++ b/sphinxman/master/api/psi4.driver.pcm_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 191590166df..1fdab57ebfa 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -332,7 +332,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -248,7 +248,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index eac7602946e..3bccec2cbe1 100644
--- a/sphinxman/master/api/psi4.driver.scf_helper.html
+++ b/sphinxman/master/api/psi4.driver.scf_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2cbb4bc9e61..f4caad3727c 100644
--- a/sphinxman/master/api/psi4.driver.scf_wavefunction_factory.html
+++ b/sphinxman/master/api/psi4.driver.scf_wavefunction_factory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f6a9b553b05..d57d6a1118d 100644
--- a/sphinxman/master/api/psi4.driver.set_memory.html
+++ b/sphinxman/master/api/psi4.driver.set_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -258,7 +258,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.set_module_options.html b/sphinxman/master/api/psi4.driver.set_module_options.html
index 2c40f51dbb3..5fcc1050469 100644
--- a/sphinxman/master/api/psi4.driver.set_module_options.html
+++ b/sphinxman/master/api/psi4.driver.set_module_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.set_module_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.set_module_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.set_options.html b/sphinxman/master/api/psi4.driver.set_options.html
index ab5033bf17a..054a478904d 100644
--- a/sphinxman/master/api/psi4.driver.set_options.html
+++ b/sphinxman/master/api/psi4.driver.set_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 5684ee0fec1..17e21659635 100644
--- a/sphinxman/master/api/psi4.driver.tdscf.html
+++ b/sphinxman/master/api/psi4.driver.tdscf.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -203,7 +203,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.vibanal_wfn.html b/sphinxman/master/api/psi4.driver.vibanal_wfn.html
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+++ b/sphinxman/master/api/psi4.driver.vibanal_wfn.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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index 81a8a137c45..4214b113978 100644
--- a/sphinxman/master/appendices.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/ccdensity__prop_sym.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/cchbar__eom_reference.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index fb50ae5727f..0935fe1315a 100644
--- a/sphinxman/master/autodir_options_c/cchbar__t_amps.html
+++ b/sphinxman/master/autodir_options_c/cchbar__t_amps.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e581508e087..4db7b8ddff3 100644
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+++ b/sphinxman/master/autodir_options_c/cchbar__wabei_lowdisk.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/cchbar__wfn.html
+++ b/sphinxman/master/autodir_options_c/cchbar__wfn.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/autodir_options_c/cclambda__abcd.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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index 963d88fd74f..3e85bca8966 100644
--- a/sphinxman/master/autodir_options_c/ccresponse__reference.html
+++ b/sphinxman/master/autodir_options_c/ccresponse__reference.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 3e463c3cfa6..b9217914516 100644
--- a/sphinxman/master/autodir_options_c/cctriples__reference.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/cfour__cfour_geo_method.html b/sphinxman/master/autodir_options_c/cfour__cfour_geo_method.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/cfour__cfour_input_mrcc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 30712612972..f57af51ab13 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7e6e17b5349..5b241e34f27 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_omp_num_threads.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_omp_num_threads.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 373a9e94ff8..2322850cc8a 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_open-shell.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 644eea61bcf..13fb61b1dba 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_opt_maxcyc.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/cfour__cfour_pert_orb.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/autodir_options_c/cfour__cfour_print.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/cfour__cfour_relativistic.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1aba9057102..37710c53816 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_restart_cc.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_restart_cc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 50d05e37376..47b2be63475 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_rot_evec.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b3cb585fd4f..7579b87219f 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_save_ints.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cfour__cfour_scale_on.html b/sphinxman/master/autodir_options_c/cfour__cfour_scale_on.html
index 684d94e8a55..bbc0827922a 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_scale_on.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 65f6d8cfd57..76f591a27d5 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_scf_conv.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 873239486ac..68ac4ae83e7 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_scf_damping.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_scf_damping.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/cfour__cfour_scf_exporder.html b/sphinxman/master/autodir_options_c/cfour__cfour_scf_exporder.html
index 9c6250968bd..8b41ab8ba41 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_scf_exporder.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_scf_exporder.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/cfour__cfour_spin_flip.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/cfour__cfour_spin_scal.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 56088ac23e0..189058de2bc 100644
--- a/sphinxman/master/autodir_options_c/cphf__explicit_hamiltonian.html
+++ b/sphinxman/master/autodir_options_c/cphf__explicit_hamiltonian.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__explicit_hamiltonian.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__explicit_hamiltonian.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ee3bd832eae..109393f4ed3 100644
--- a/sphinxman/master/autodir_options_c/cphf__module.html
+++ b/sphinxman/master/autodir_options_c/cphf__module.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__module.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__module.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cccf3e77c8f..e06d8bcfa25 100644
--- a/sphinxman/master/autodir_options_c/cphf__print.html
+++ b/sphinxman/master/autodir_options_c/cphf__print.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__print.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__print.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cphf__scf_type.html b/sphinxman/master/autodir_options_c/cphf__scf_type.html
index a09789ebadc..40c95c19147 100644
--- a/sphinxman/master/autodir_options_c/cphf__scf_type.html
+++ b/sphinxman/master/autodir_options_c/cphf__scf_type.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__scf_type.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -128,7 +128,7 @@ <h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 <div><p>SCF Type</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: DIRECT, DF, PK, OUT_OF_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+LINK, DFDIRJ+COSX</p></li>
+<li><p><strong>Possible Values</strong>: DIRECT, DF, PK, OUT_OF_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+SNLINK, DFDIRJ+LINK, DFDIRJ+COSX</p></li>
 <li><p><strong>Default</strong>: DIRECT</p></li>
 </ul>
 </div></blockquote>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__scf_type.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index aba4a3c2282..e67bf3869fd 100644
--- a/sphinxman/master/autodir_options_c/cphf__solver_convergence.html
+++ b/sphinxman/master/autodir_options_c/cphf__solver_convergence.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__solver_convergence.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__solver_convergence.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cphf__solver_maxiter.html b/sphinxman/master/autodir_options_c/cphf__solver_maxiter.html
index 6271062cfe7..870c4930ebf 100644
--- a/sphinxman/master/autodir_options_c/cphf__solver_maxiter.html
+++ b/sphinxman/master/autodir_options_c/cphf__solver_maxiter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__solver_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cphf__solver_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cphf__solver_n_guess.html b/sphinxman/master/autodir_options_c/cphf__solver_n_guess.html
index cba2e4eff65..1b2ec2cb2da 100644
--- a/sphinxman/master/autodir_options_c/cphf__solver_n_guess.html
+++ b/sphinxman/master/autodir_options_c/cphf__solver_n_guess.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2217fcd7e5f..90660892e88 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/ddx__ddx_lmax.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 57e948a2c63..c2c22f608be 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_logfile.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/ddx__ddx_maxiter.html b/sphinxman/master/autodir_options_c/ddx__ddx_maxiter.html
index 0cfbebf733c..f63419d389c 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_maxiter.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 06906572b06..a9a66195c63 100644
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@@ -47,7 +47,7 @@
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1013926ba36..7859c6cb986 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e870d0cdccb..0835ccef913 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cc910dd68b5..e1871ab968b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 79a15a11e71..d5c87216bec 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 458a54a35a4..9625b2a95ae 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c57fedc5a79..b2d198c5b13 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7bc90d88bff..9516ce1e2cb 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3e993a3e2e2..f8a57c935a5 100644
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/efp__dertype.html
+++ b/sphinxman/master/autodir_options_c/efp__dertype.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 039710ffc4c..db74909489f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/autodir_options_c/efp__efp_elst.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 766f3f362c9..83b840e6001 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a18158ca02b..2acdd1b0ce4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/efp__efp_ind.html
+++ b/sphinxman/master/autodir_options_c/efp__efp_ind.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/findif__disp_size.html
+++ b/sphinxman/master/autodir_options_c/findif__disp_size.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/fisapt__minao_basis.html
+++ b/sphinxman/master/autodir_options_c/fisapt__minao_basis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__active_nat_orbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__active_nat_orbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 12b2fa40a99..441e8d8fd85 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__brueckner_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/fnocc__cc_scale_os.html b/sphinxman/master/autodir_options_c/fnocc__cc_scale_os.html
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--- a/sphinxman/master/autodir_options_c/fnocc__cc_scale_os.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cc_scale_os.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cc_scale_os.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/fnocc__run_ccsd.html
+++ b/sphinxman/master/autodir_options_c/fnocc__run_ccsd.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 61485860ea2..9ae094f181d 100644
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+++ b/sphinxman/master/autodir_options_c/globals__restricted_docc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__restricted_docc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/globals__restricted_uocc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__restricted_uocc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__restricted_uocc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/globals__scf_type.html b/sphinxman/master/autodir_options_c/globals__scf_type.html
index 749aacea7ab..62c92db7b1c 100644
--- a/sphinxman/master/autodir_options_c/globals__scf_type.html
+++ b/sphinxman/master/autodir_options_c/globals__scf_type.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__scf_type.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -128,7 +128,7 @@ <h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 <div><p>What algorithm to use for the SCF computation. See Table <a class="reference internal" href="../scf.html#table-conv-scf"><span class="std std-ref">SCF Convergence &amp; Algorithm</span></a> for default algorithm for different calculation types.</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
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+<li><p><strong>Possible Values</strong>: DIRECT, DF, MEM_DF, DISK_DF, PK, OUT_OF_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK, DFDIRJ+SNLINK</p></li>
 <li><p><strong>Default</strong>: PK</p></li>
 </ul>
 </div></blockquote>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__scf_type.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8906aec03e6..356cc3dfd93 100644
--- a/sphinxman/master/autodir_options_c/globals__screening.html
+++ b/sphinxman/master/autodir_options_c/globals__screening.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__screening.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__screening.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/globals__socc.html b/sphinxman/master/autodir_options_c/globals__socc.html
index 3f0cd47b560..8b73cb8ae91 100644
--- a/sphinxman/master/autodir_options_c/globals__socc.html
+++ b/sphinxman/master/autodir_options_c/globals__socc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__socc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__socc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/globals__wfn.html b/sphinxman/master/autodir_options_c/globals__wfn.html
index bf2ce51a8f3..1862278e5e8 100644
--- a/sphinxman/master/autodir_options_c/globals__wfn.html
+++ b/sphinxman/master/autodir_options_c/globals__wfn.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__wfn.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/globals__wfn.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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index 2219d3ff785..d77841dff93 100644
--- a/sphinxman/master/autodir_options_c/globals__writer_file_label.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 21adb89b3d8..097804790dd 100644
--- a/sphinxman/master/autodir_options_c/mcscf__diis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 988271eadf9..c9ae6a100e4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -197,7 +197,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/mints__basis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/mints__basis.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -306,7 +306,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -1893,7 +1893,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -357,7 +357,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -499,7 +499,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/module__globals.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -601,7 +601,7 @@ <h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 <div><p>What algorithm to use for the SCF computation. See Table <a class="reference internal" href="../scf.html#table-conv-scf"><span class="std std-ref">SCF Convergence &amp; Algorithm</span></a> for default algorithm for different calculation types.</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
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+<li><p><strong>Possible Values</strong>: DIRECT, DF, MEM_DF, DISK_DF, PK, OUT_OF_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK, DFDIRJ+SNLINK</p></li>
 <li><p><strong>Default</strong>: PK</p></li>
 </ul>
 </div></blockquote>
@@ -983,7 +983,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/module__globals.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -998,7 +998,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 26d7f25ba55..f06a7528311 100644
--- a/sphinxman/master/autodir_options_c/module__mcscf.html
+++ b/sphinxman/master/autodir_options_c/module__mcscf.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -477,7 +477,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/module__mcscf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -492,7 +492,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f7ae0ce487f..663c49bc567 100644
--- a/sphinxman/master/autodir_options_c/module__mints.html
+++ b/sphinxman/master/autodir_options_c/module__mints.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 645005c21bf..7dade903eb6 100644
--- a/sphinxman/master/autodir_options_c/module__mrcc.html
+++ b/sphinxman/master/autodir_options_c/module__mrcc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -312,7 +312,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/module__mrcc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -327,7 +327,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/module__occ.html b/sphinxman/master/autodir_options_c/module__occ.html
index 2e6af9cd9bc..5e19a550244 100644
--- a/sphinxman/master/autodir_options_c/module__occ.html
+++ b/sphinxman/master/autodir_options_c/module__occ.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -839,7 +839,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/module__occ.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -854,7 +854,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 11f4f99336f..3d844b8023a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1088,7 +1088,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/module__optking.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1103,7 +1103,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/module__pcm.html b/sphinxman/master/autodir_options_c/module__pcm.html
index 70798ae4cc3..9180231933c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -248,7 +248,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/module__pe.html b/sphinxman/master/autodir_options_c/module__pe.html
index f80e5467424..6b5da68e2b1 100644
--- a/sphinxman/master/autodir_options_c/module__pe.html
+++ b/sphinxman/master/autodir_options_c/module__pe.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -419,7 +419,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -434,7 +434,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/module__psimrcc.html b/sphinxman/master/autodir_options_c/module__psimrcc.html
index 729d60bf52a..205aed97f3c 100644
--- a/sphinxman/master/autodir_options_c/module__psimrcc.html
+++ b/sphinxman/master/autodir_options_c/module__psimrcc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -636,7 +636,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -651,7 +651,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/module__sapt.html b/sphinxman/master/autodir_options_c/module__sapt.html
index b5a2dc1cafa..565377e11a1 100644
--- a/sphinxman/master/autodir_options_c/module__sapt.html
+++ b/sphinxman/master/autodir_options_c/module__sapt.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -773,7 +773,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -788,7 +788,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/module__scf.html b/sphinxman/master/autodir_options_c/module__scf.html
index b9a64b74042..e4b58b22381 100644
--- a/sphinxman/master/autodir_options_c/module__scf.html
+++ b/sphinxman/master/autodir_options_c/module__scf.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1035,6 +1035,60 @@ <h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 </div></blockquote>
 </section>
 </section>
+<section id="snlink-algorithm">
+<span id="apdx-scfsnlinkalgorithm"></span><h2>snLinK Algorithm<a class="headerlink" href="#snlink-algorithm" title="Link to this heading">¶</a></h2>
+<section id="snlink-ints-tolerance">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_INTS_TOLERANCE-SCF"><span class="xref std std-term">SNLINK_INTS_TOLERANCE</span></a><a class="headerlink" href="#snlink-ints-tolerance" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Screening criteria for integrals and intermediates in snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-11</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-radial-points">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_RADIAL_POINTS-SCF"><span class="xref std std-term">SNLINK_RADIAL_POINTS</span></a><a class="headerlink" href="#snlink-radial-points" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Number of radial points in snLinK grid.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 70</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-radial-scheme">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_RADIAL_SCHEME-SCF"><span class="xref std std-term">SNLINK_RADIAL_SCHEME</span></a><a class="headerlink" href="#snlink-radial-scheme" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Radial Scheme for snLinK grid. MURA is default here as it matches the GauXC default option</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: MURA, TREUTLER, EM</p></li>
+<li><p><strong>Default</strong>: MURA</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-spherical-points">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_SPHERICAL_POINTS-SCF"><span class="xref std std-term">SNLINK_SPHERICAL_POINTS</span></a><a class="headerlink" href="#snlink-spherical-points" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Number of spherical points in snLinK grid.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 302</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-use-gpu">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_USE_GPU-SCF"><span class="xref std std-term">SNLINK_USE_GPU</span></a><a class="headerlink" href="#snlink-use-gpu" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Use GPU for GauXC?</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</div></blockquote>
+</section>
+</section>
 <section id="sad-guess-algorithm">
 <span id="apdx-scfsadguessalgorithm"></span><h2>SAD Guess Algorithm<a class="headerlink" href="#sad-guess-algorithm" title="Link to this heading">¶</a></h2>
 <section id="sad-d-convergence">
@@ -1639,6 +1693,135 @@ <h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 </div></blockquote>
 </section>
 </section>
+<section id="expert-snlink-algorithm">
+<span id="apdx-scfesnlinkalgorithm"></span><h2><em>Expert</em> snLinK Algorithm<a class="headerlink" href="#expert-snlink-algorithm" title="Link to this heading">¶</a></h2>
+<section id="snlink-basis-tolerance">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_BASIS_TOLERANCE-SCF"><span class="xref std std-term">SNLINK_BASIS_TOLERANCE</span></a><a class="headerlink" href="#snlink-basis-tolerance" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Screening criteria for basis function values on snLinK grids</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-10</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-density-tolerance">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_DENSITY_TOLERANCE-SCF"><span class="xref std std-term">SNLINK_DENSITY_TOLERANCE</span></a><a class="headerlink" href="#snlink-density-tolerance" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Screening criteria for shell-pair densities in snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-10</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-force-cartesian">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_FORCE_CARTESIAN-SCF"><span class="xref std std-term">SNLINK_FORCE_CARTESIAN</span></a><a class="headerlink" href="#snlink-force-cartesian" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Force snLinK to use cartesian coordinates</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-gpu-mem">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_GPU_MEM-SCF"><span class="xref std std-term">SNLINK_GPU_MEM</span></a><a class="headerlink" href="#snlink-gpu-mem" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Proportion (in %) of available GPU memory to allocate to snLinK.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: 90</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-grid-batch-size">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_GRID_BATCH_SIZE-SCF"><span class="xref std std-term">SNLINK_GRID_BATCH_SIZE</span></a><a class="headerlink" href="#snlink-grid-batch-size" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Maximum number of grid points per grid block for GauXC</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 2048</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-integrator-kernel">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_INTEGRATOR_KERNEL-SCF"><span class="xref std std-term">SNLINK_INTEGRATOR_KERNEL</span></a><a class="headerlink" href="#snlink-integrator-kernel" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Integrator execution kernel for snLinK  GauXC also has SHELLBATCHED, but it is incompatible with Psi4 due to not being yet implemented with sn-LinK.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, INCORE</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-load-balancer-kernel">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_LOAD_BALANCER_KERNEL-SCF"><span class="xref std std-term">SNLINK_LOAD_BALANCER_KERNEL</span></a><a class="headerlink" href="#snlink-load-balancer-kernel" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Load Balancer kernel for snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, REPLICATED, REPLICATED-PETITE, REPLICATED-FILLIN</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-lwd-kernel">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_LWD_KERNEL-SCF"><span class="xref std std-term">SNLINK_LWD_KERNEL</span></a><a class="headerlink" href="#snlink-lwd-kernel" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Integrator local work driver kernel for snLinK  GauXC also has SCHEME1-CUTLASS, but it is disabled in Psi4 for now due to compile-time issues and requiring very modern CUDA CCs (&gt;=80)</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, REFERENCE, SCHEME1, SCHEME1-MAGMA</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-mol-weights-kernel">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_MOL_WEIGHTS_KERNEL-SCF"><span class="xref std std-term">SNLINK_MOL_WEIGHTS_KERNEL</span></a><a class="headerlink" href="#snlink-mol-weights-kernel" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Molecular Weights kernel for snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-pruning-scheme">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_PRUNING_SCHEME-SCF"><span class="xref std std-term">SNLINK_PRUNING_SCHEME</span></a><a class="headerlink" href="#snlink-pruning-scheme" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Pruning scheme for snLinK grids</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: ROBUST, TREUTLER, NONE</p></li>
+<li><p><strong>Default</strong>: ROBUST</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-reduction-kernel">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_REDUCTION_KERNEL-SCF"><span class="xref std std-term">SNLINK_REDUCTION_KERNEL</span></a><a class="headerlink" href="#snlink-reduction-kernel" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Integrator reduction kernel for snLinK  GauXC also has NCCL, but it is incompatible with Psi4 due to requiring MPI.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, BASICMPI</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+<section id="snlink-use-debug-grid">
+<h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_USE_DEBUG_GRID-SCF"><span class="xref std std-term">SNLINK_USE_DEBUG_GRID</span></a><a class="headerlink" href="#snlink-use-debug-grid" title="Link to this heading">¶</a></h3>
+<blockquote>
+<div><p>Overwrite sn-LinK grid options with debug grid matching GauXC’s Ultrafine grid spec</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</div></blockquote>
+</section>
+</section>
 <section id="expert-sad-guess-algorithm">
 <span id="apdx-scfesadguessalgorithm"></span><h2><em>Expert</em> SAD Guess Algorithm<a class="headerlink" href="#expert-sad-guess-algorithm" title="Link to this heading">¶</a></h2>
 <section id="df-basis-sad">
@@ -1969,6 +2152,14 @@ <h3><a href="../index.html">table of contents</a></h3>
 <li><a class="reference internal" href="#cosx-spherical-points-initial"><span class="xref std std-term">COSX_SPHERICAL_POINTS_INITIAL</span></a></li>
 </ul>
 </li>
+<li><a class="reference internal" href="#snlink-algorithm">snLinK Algorithm</a><ul>
+<li><a class="reference internal" href="#snlink-ints-tolerance"><span class="xref std std-term">SNLINK_INTS_TOLERANCE</span></a></li>
+<li><a class="reference internal" href="#snlink-radial-points"><span class="xref std std-term">SNLINK_RADIAL_POINTS</span></a></li>
+<li><a class="reference internal" href="#snlink-radial-scheme"><span class="xref std std-term">SNLINK_RADIAL_SCHEME</span></a></li>
+<li><a class="reference internal" href="#snlink-spherical-points"><span class="xref std std-term">SNLINK_SPHERICAL_POINTS</span></a></li>
+<li><a class="reference internal" href="#snlink-use-gpu"><span class="xref std std-term">SNLINK_USE_GPU</span></a></li>
+</ul>
+</li>
 <li><a class="reference internal" href="#sad-guess-algorithm">SAD Guess Algorithm</a><ul>
 <li><a class="reference internal" href="#sad-d-convergence"><span class="xref std std-term">SAD_D_CONVERGENCE</span></a></li>
 <li><a class="reference internal" href="#sad-e-convergence"><span class="xref std std-term">SAD_E_CONVERGENCE</span></a></li>
@@ -2053,6 +2244,21 @@ <h3><a href="../index.html">table of contents</a></h3>
 <li><a class="reference internal" href="#cosx-pruning-scheme"><span class="xref std std-term">COSX_PRUNING_SCHEME</span></a></li>
 </ul>
 </li>
+<li><a class="reference internal" href="#expert-snlink-algorithm"><em>Expert</em> snLinK Algorithm</a><ul>
+<li><a class="reference internal" href="#snlink-basis-tolerance"><span class="xref std std-term">SNLINK_BASIS_TOLERANCE</span></a></li>
+<li><a class="reference internal" href="#snlink-density-tolerance"><span class="xref std std-term">SNLINK_DENSITY_TOLERANCE</span></a></li>
+<li><a class="reference internal" href="#snlink-force-cartesian"><span class="xref std std-term">SNLINK_FORCE_CARTESIAN</span></a></li>
+<li><a class="reference internal" href="#snlink-gpu-mem"><span class="xref std std-term">SNLINK_GPU_MEM</span></a></li>
+<li><a class="reference internal" href="#snlink-grid-batch-size"><span class="xref std std-term">SNLINK_GRID_BATCH_SIZE</span></a></li>
+<li><a class="reference internal" href="#snlink-integrator-kernel"><span class="xref std std-term">SNLINK_INTEGRATOR_KERNEL</span></a></li>
+<li><a class="reference internal" href="#snlink-load-balancer-kernel"><span class="xref std std-term">SNLINK_LOAD_BALANCER_KERNEL</span></a></li>
+<li><a class="reference internal" href="#snlink-lwd-kernel"><span class="xref std std-term">SNLINK_LWD_KERNEL</span></a></li>
+<li><a class="reference internal" href="#snlink-mol-weights-kernel"><span class="xref std std-term">SNLINK_MOL_WEIGHTS_KERNEL</span></a></li>
+<li><a class="reference internal" href="#snlink-pruning-scheme"><span class="xref std std-term">SNLINK_PRUNING_SCHEME</span></a></li>
+<li><a class="reference internal" href="#snlink-reduction-kernel"><span class="xref std std-term">SNLINK_REDUCTION_KERNEL</span></a></li>
+<li><a class="reference internal" href="#snlink-use-debug-grid"><span class="xref std std-term">SNLINK_USE_DEBUG_GRID</span></a></li>
+</ul>
+</li>
 <li><a class="reference internal" href="#expert-sad-guess-algorithm"><em>Expert</em> SAD Guess Algorithm</a><ul>
 <li><a class="reference internal" href="#df-basis-sad"><span class="xref std std-term">DF_BASIS_SAD</span></a></li>
 <li><a class="reference internal" href="#sad-chol-tolerance"><span class="xref std std-term">SAD_CHOL_TOLERANCE</span></a></li>
@@ -2129,7 +2335,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/module__scf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -2144,7 +2350,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodir_options_c/module__thermo.html b/sphinxman/master/autodir_options_c/module__thermo.html
index 6fb7cd728f9..2145addc2eb 100644
--- a/sphinxman/master/autodir_options_c/module__thermo.html
+++ b/sphinxman/master/autodir_options_c/module__thermo.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/mrcc__e_convergence.html b/sphinxman/master/autodir_options_c/mrcc__e_convergence.html
index f00d765f27b..f8d3e027398 100644
--- a/sphinxman/master/autodir_options_c/mrcc__e_convergence.html
+++ b/sphinxman/master/autodir_options_c/mrcc__e_convergence.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/mrcc__ints_tolerance.html b/sphinxman/master/autodir_options_c/mrcc__ints_tolerance.html
index 8861d98d37f..9ae04a7396f 100644
--- a/sphinxman/master/autodir_options_c/mrcc__ints_tolerance.html
+++ b/sphinxman/master/autodir_options_c/mrcc__ints_tolerance.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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diff --git a/sphinxman/master/autodir_options_c/mrcc__mrcc_level.html b/sphinxman/master/autodir_options_c/mrcc__mrcc_level.html
index 440245e55b0..fe93be17b31 100644
--- a/sphinxman/master/autodir_options_c/mrcc__mrcc_level.html
+++ b/sphinxman/master/autodir_options_c/mrcc__mrcc_level.html
@@ -47,7 +47,7 @@
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <div class="footer" role="contentinfo">
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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--- a/sphinxman/master/autodir_options_c/occ__cachelevel.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/occ__cepa_type.html b/sphinxman/master/autodir_options_c/occ__cepa_type.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodir_options_c/occ__mo_maxiter.html b/sphinxman/master/autodir_options_c/occ__mo_maxiter.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/occ__mp2_ss_scale.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/occ__oeprop.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/optking__hess_update_limit_max.html b/sphinxman/master/autodir_options_c/optking__hess_update_limit_max.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 22e1f557d3c..9657ea16cdd 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__no_singles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7732e24abce..f49483bcfb5 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b9301466628..c2041249373 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c7f4f5b432d..5d6d005ac0e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 89765b63380..8b835ac1c59 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 44ddf2c78b5..0373d3a83e8 100644
--- a/sphinxman/master/autodir_options_c/sapt__do_third_order.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ed811c483a5..b1cde1f2e54 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8ee5f4510ab..b4bb9ffab54 100644
--- a/sphinxman/master/autodir_options_c/sapt__freeze_core.html
+++ b/sphinxman/master/autodir_options_c/sapt__freeze_core.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6b4c4a3345a..f702953d0af 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__max_ccd_diisvecs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__max_ccd_diisvecs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/sapt__maxiter.html
+++ b/sphinxman/master/autodir_options_c/sapt__maxiter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f2b5f7c4899..d91d968022c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 712e88145d2..1a12419d905 100644
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0b282c56402..1c58287764e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4bbe4cf9eed..33ce9a78261 100644
--- a/sphinxman/master/autodir_options_c/sapt__sapt_dft_do_dhf.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 32fb815bbb6..cff1503b8fb 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/sapt__sapt_dft_functional.html b/sphinxman/master/autodir_options_c/sapt__sapt_dft_functional.html
index 5d56a143c46..e132bdba9a1 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d8ca3eed9b5..6e63c8ed589 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__df_theta.html
+++ b/sphinxman/master/autodir_options_c/scf__df_theta.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c7a622adef1..197e54fea61 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_alpha_c.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 672da60a605..71bad09a90e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_basis_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 34f82196155..3ffe7634af5 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_max_points.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_block_max_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__dft_block_max_radius.html b/sphinxman/master/autodir_options_c/scf__dft_block_max_radius.html
index 88ea34a6595..f1148e738e5 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_max_radius.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_block_max_radius.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4dfdb0a29c5..c2581a3e03c 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_min_points.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 81b1e1d15b3..825e1251453 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_scheme.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_block_scheme.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 732330fd254..5a1bf540431 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_bs_radius_alpha.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9cb98ea3f48..31a63a2398a 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html b/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html
index 0f51e4da897..da7f3795cc2 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_dispersion_parameters.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_dispersion_parameters.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_grac_alpha.html b/sphinxman/master/autodir_options_c/scf__dft_grac_alpha.html
index c391d0f9a76..f2c42b8ab52 100644
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+++ b/sphinxman/master/autodir_options_c/scf__dft_grac_alpha.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__frac_start.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 595699d22af..bf778265d9b 100644
--- a/sphinxman/master/autodir_options_c/scf__incfock.html
+++ b/sphinxman/master/autodir_options_c/scf__incfock.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/scf__local_maxiter.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/scf__max_attempts.html
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/scf__maxiter.html
+++ b/sphinxman/master/autodir_options_c/scf__maxiter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/autodir_options_c/scf__mom_occ.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2f833f3324b..5ba32d22ca3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__sad_spin_average.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 74eafd4cc99..27946c9ffc3 100644
--- a/sphinxman/master/autodir_options_c/scf__sapgau_basis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__sapgau_basis.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 86977f1af94..244eba38940 100644
--- a/sphinxman/master/autodir_options_c/scf__sapt.html
+++ b/sphinxman/master/autodir_options_c/scf__sapt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 67219ea78d7..72eedfc3609 100644
--- a/sphinxman/master/autodir_options_c/scf__save_jk.html
+++ b/sphinxman/master/autodir_options_c/scf__save_jk.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 162822f2fda..26d92885c3d 100644
--- a/sphinxman/master/autodir_options_c/scf__save_uhf_nos.html
+++ b/sphinxman/master/autodir_options_c/scf__save_uhf_nos.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 452184986ec..1033be6187a 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_initial_accelerator.html
+++ b/sphinxman/master/autodir_options_c/scf__scf_initial_accelerator.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html b/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html
index 4bf9cd91fcf..b07213fa150 100644
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+++ b/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__scf_initial_finish_diis_transition.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__scf_initial_finish_diis_transition.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__scf_initial_start_diis_transition.html b/sphinxman/master/autodir_options_c/scf__scf_initial_start_diis_transition.html
index 97fc405efea..12e0f70963f 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_initial_start_diis_transition.html
+++ b/sphinxman/master/autodir_options_c/scf__scf_initial_start_diis_transition.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__scf_initial_start_diis_transition.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__scf_initial_start_diis_transition.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__scf_mem_safety_factor.html b/sphinxman/master/autodir_options_c/scf__scf_mem_safety_factor.html
index 1759f88f2b1..47ed88fe16c 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_mem_safety_factor.html
+++ b/sphinxman/master/autodir_options_c/scf__scf_mem_safety_factor.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodir_options_c/scf__scf_properties.html b/sphinxman/master/autodir_options_c/scf__scf_properties.html
index 09ee4d153e3..987d146151c 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_properties.html
+++ b/sphinxman/master/autodir_options_c/scf__scf_properties.html
@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__scf_subtype.html b/sphinxman/master/autodir_options_c/scf__scf_subtype.html
index 9d42504ed00..385af7a9dce 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_subtype.html
+++ b/sphinxman/master/autodir_options_c/scf__scf_subtype.html
@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -73,7 +73,7 @@
     <link rel="icon" href="../_static/favicon-psi4.ico"/>
     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" />
-    <link rel="next" title="SOLVER_CONVERGENCE" href="scf__solver_convergence.html" />
+    <link rel="next" title="SNLINK_BASIS_TOLERANCE" href="scf__snlink_basis_tolerance.html" />
     <link rel="prev" title="SCF_PROPERTIES" href="scf__scf_properties.html" /> 
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@@ -89,7 +89,7 @@ <h3>Navigation</h3>
           <a href="../py-modindex.html" title="Python Module Index"
              >modules</a> &nbsp; &nbsp;</li>
         <li class="right" >
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+          <a href="scf__snlink_basis_tolerance.html" title="SNLINK_BASIS_TOLERANCE"
              accesskey="N"><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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           <a href="../py-modindex.html" title="Python Module Index"
              >modules</a> &nbsp; &nbsp;</li>
         <li class="right" >
-          <a href="scf__solver_convergence.html" title="SOLVER_CONVERGENCE"
+          <a href="scf__snlink_basis_tolerance.html" title="SNLINK_BASIS_TOLERANCE"
              ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
         <li class="right" >
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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diff --git a/sphinxman/master/autodir_options_c/scf__snlink_basis_tolerance.html b/sphinxman/master/autodir_options_c/scf__snlink_basis_tolerance.html
new file mode 100644
index 00000000000..11a1f44421d
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_basis_tolerance.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
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+#
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_BASIS_TOLERANCE</span></a></li> 
+      </ul>
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+  
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+    <div class="document">
+      <div class="documentwrapper">
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+  <section id="snlink-basis-tolerance">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_BASIS_TOLERANCE-SCF"><span class="xref std std-term">SNLINK_BASIS_TOLERANCE</span></a><a class="headerlink" href="#snlink-basis-tolerance" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Screening criteria for basis function values on snLinK grids</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-10</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_BASIS_TOLERANCE</span></a></li> 
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diff --git a/sphinxman/master/autodir_options_c/scf__snlink_density_tolerance.html b/sphinxman/master/autodir_options_c/scf__snlink_density_tolerance.html
new file mode 100644
index 00000000000..db40b7c8f3c
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_density_tolerance.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
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+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
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+    <title>SNLINK_DENSITY_TOLERANCE</title>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_DENSITY_TOLERANCE</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-density-tolerance">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_DENSITY_TOLERANCE-SCF"><span class="xref std std-term">SNLINK_DENSITY_TOLERANCE</span></a><a class="headerlink" href="#snlink-density-tolerance" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Screening criteria for shell-pair densities in snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-10</p></li>
+</ul>
+</div></blockquote>
+</section>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_DENSITY_TOLERANCE</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
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+    <!-- cloud_sptheme 1.4 -->
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\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_force_cartesian.html b/sphinxman/master/autodir_options_c/scf__snlink_force_cartesian.html
new file mode 100644
index 00000000000..e14a6bd115a
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_force_cartesian.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
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+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
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+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_FORCE_CARTESIAN</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-force-cartesian">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_FORCE_CARTESIAN-SCF"><span class="xref std std-term">SNLINK_FORCE_CARTESIAN</span></a><a class="headerlink" href="#snlink-force-cartesian" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Force snLinK to use cartesian coordinates</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</div></blockquote>
+</section>
+
+
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+             >modules</a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+
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+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_FORCE_CARTESIAN</span></a></li> 
+      </ul>
+    </div>
+    </div>
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\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_gpu_mem.html b/sphinxman/master/autodir_options_c/scf__snlink_gpu_mem.html
new file mode 100644
index 00000000000..a87a3c4efe1
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_gpu_mem.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
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+# -->
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+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
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+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+
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+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_GPU_MEM</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
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+            
+  <section id="snlink-gpu-mem">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_GPU_MEM-SCF"><span class="xref std std-term">SNLINK_GPU_MEM</span></a><a class="headerlink" href="#snlink-gpu-mem" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Proportion (in %) of available GPU memory to allocate to snLinK.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: 90</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li class="nav-item nav-item-0"><a href="../index.html">
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+
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+    </div>
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+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_grid_batch_size.html b/sphinxman/master/autodir_options_c/scf__snlink_grid_batch_size.html
new file mode 100644
index 00000000000..9c6a19eea69
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_grid_batch_size.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
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+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
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+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
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+    <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_grid_batch_size.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_GRID_BATCH_SIZE</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-grid-batch-size">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_GRID_BATCH_SIZE-SCF"><span class="xref std std-term">SNLINK_GRID_BATCH_SIZE</span></a><a class="headerlink" href="#snlink-grid-batch-size" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Maximum number of grid points per grid block for GauXC</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 2048</p></li>
+</ul>
+</div></blockquote>
+</section>
+
+
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+          </div>
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+      <div><input type="text" name="q" placeholder="&#xF002;" style="font-family:FontAwesome, Ariel"
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+      <ul>
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+             >Index</a></li>
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+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_integrator_kernel.html" title="SNLINK_INTEGRATOR_KERNEL"
+             ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_gpu_mem.html" title="SNLINK_GPU_MEM"
+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_GRID_BATCH_SIZE</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
+    &#169; Copyright 2007-2024, The Psi4 Project.
+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_integrator_kernel.html b/sphinxman/master/autodir_options_c/scf__snlink_integrator_kernel.html
new file mode 100644
index 00000000000..019a9e24f4e
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_integrator_kernel.html
@@ -0,0 +1,223 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
+
+
+
+
+<!DOCTYPE html>
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+<html lang="en" data-content_root="../">
+  <head>
+    <meta charset="utf-8" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_INTEGRATOR_KERNEL</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
+    <link rel="stylesheet" type="text/css" href="../_static/psi4.css?v=5cda37dd" />
+    <link rel="stylesheet" type="text/css" href="../_static/graphviz.css?v=fd3f3429" />
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+    <link rel="stylesheet" type="text/css" href="../_static/tabs.css?v=a5c4661c" />
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+    <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
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+    <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
+    <script defer="defer" src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
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+        <script src="../_static/jquery.cookie.js"></script>
+    
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+    
+     
+        <script src="../_static/cloud.base.js"></script>
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+     
+        <script src="../_static/cloud.js"></script>
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+    <link rel="search" title="Search" href="../search.html" />
+    <link rel="next" title="SNLINK_INTS_TOLERANCE" href="scf__snlink_ints_tolerance.html" />
+    <link rel="prev" title="SNLINK_GRID_BATCH_SIZE" href="scf__snlink_grid_batch_size.html" /> 
+        <meta name="viewport" content="width=device-width, initial-scale=1">
+  </head><body>
+    <div class="relbar-top">
+        
+    <div class="related" role="navigation" aria-label="Related">
+      <h3>Navigation</h3>
+      <ul>
+        <li class="right" style="margin-right: 10px">
+          <a href="../genindex.html" title="General Index"
+             accesskey="I">Index</a></li>
+        <li class="right" >
+          <a href="../py-modindex.html" title="Python Module Index"
+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_ints_tolerance.html" title="SNLINK_INTS_TOLERANCE"
+             accesskey="N"><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_grid_batch_size.html" title="SNLINK_GRID_BATCH_SIZE"
+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="../index.html" title="Table Of Contents"
+             accesskey="C"><i class="fa fa-book fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_integrator_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_INTEGRATOR_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-integrator-kernel">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_INTEGRATOR_KERNEL-SCF"><span class="xref std std-term">SNLINK_INTEGRATOR_KERNEL</span></a><a class="headerlink" href="#snlink-integrator-kernel" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Integrator execution kernel for snLinK  GauXC also has SHELLBATCHED, but it is incompatible with Psi4 due to not being yet implemented with sn-LinK.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, INCORE</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+
+
+            <div class="clearer"></div>
+          </div>
+        </div>
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+      <h3>Navigation</h3>
+      <ul>
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+          <a href="../genindex.html" title="General Index"
+             >Index</a></li>
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+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_ints_tolerance.html" title="SNLINK_INTS_TOLERANCE"
+             ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_grid_batch_size.html" title="SNLINK_GRID_BATCH_SIZE"
+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="../index.html" title="Table Of Contents"
+             ><i class="fa fa-book fa-lg"></i></a> &nbsp; &nbsp;</li>
+    <li><a href="http://psicode.org/"><i class="fa fa-home fa-lg"></i></a></li>
+    <li><a href="http://github.com/psi4/psi4"><i class="fa fa-github fa-lg"></i></a></li>
+    <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
+    <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_integrator_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_INTEGRATOR_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
+    &#169; Copyright 2007-2024, The Psi4 Project.
+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_ints_tolerance.html b/sphinxman/master/autodir_options_c/scf__snlink_ints_tolerance.html
new file mode 100644
index 00000000000..66322802a3a
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_ints_tolerance.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
+
+
+
+
+<!DOCTYPE html>
+
+<html lang="en" data-content_root="../">
+  <head>
+    <meta charset="utf-8" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_INTS_TOLERANCE</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
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+
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+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_INTS_TOLERANCE</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-ints-tolerance">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_INTS_TOLERANCE-SCF"><span class="xref std std-term">SNLINK_INTS_TOLERANCE</span></a><a class="headerlink" href="#snlink-ints-tolerance" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Screening criteria for integrals and intermediates in snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-11</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_INTS_TOLERANCE</span></a></li> 
+      </ul>
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diff --git a/sphinxman/master/autodir_options_c/scf__snlink_load_balancer_kernel.html b/sphinxman/master/autodir_options_c/scf__snlink_load_balancer_kernel.html
new file mode 100644
index 00000000000..f3d4835bfda
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_load_balancer_kernel.html
@@ -0,0 +1,223 @@
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_LOAD_BALANCER_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-load-balancer-kernel">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_LOAD_BALANCER_KERNEL-SCF"><span class="xref std std-term">SNLINK_LOAD_BALANCER_KERNEL</span></a><a class="headerlink" href="#snlink-load-balancer-kernel" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Load Balancer kernel for snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, REPLICATED, REPLICATED-PETITE, REPLICATED-FILLIN</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_LOAD_BALANCER_KERNEL</span></a></li> 
+      </ul>
+    </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__snlink_lwd_kernel.html b/sphinxman/master/autodir_options_c/scf__snlink_lwd_kernel.html
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index 00000000000..8b62151d3ed
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_lwd_kernel.html
@@ -0,0 +1,223 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
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+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_LWD_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-lwd-kernel">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_LWD_KERNEL-SCF"><span class="xref std std-term">SNLINK_LWD_KERNEL</span></a><a class="headerlink" href="#snlink-lwd-kernel" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Integrator local work driver kernel for snLinK  GauXC also has SCHEME1-CUTLASS, but it is disabled in Psi4 for now due to compile-time issues and requiring very modern CUDA CCs (&gt;=80)</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, REFERENCE, SCHEME1, SCHEME1-MAGMA</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
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+             >modules</a> &nbsp; &nbsp;</li>
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+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_LWD_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
+    &#169; Copyright 2007-2024, The Psi4 Project.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_mol_weights_kernel.html b/sphinxman/master/autodir_options_c/scf__snlink_mol_weights_kernel.html
new file mode 100644
index 00000000000..1cad74a9ada
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_mol_weights_kernel.html
@@ -0,0 +1,223 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
+
+
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+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_MOL_WEIGHTS_KERNEL</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
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+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
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+    <link rel="next" title="SNLINK_PRUNING_SCHEME" href="scf__snlink_pruning_scheme.html" />
+    <link rel="prev" title="SNLINK_LWD_KERNEL" href="scf__snlink_lwd_kernel.html" /> 
+        <meta name="viewport" content="width=device-width, initial-scale=1">
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+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+             accesskey="N"><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_lwd_kernel.html" title="SNLINK_LWD_KERNEL"
+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_MOL_WEIGHTS_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-mol-weights-kernel">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_MOL_WEIGHTS_KERNEL-SCF"><span class="xref std std-term">SNLINK_MOL_WEIGHTS_KERNEL</span></a><a class="headerlink" href="#snlink-mol-weights-kernel" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Molecular Weights kernel for snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+      <h3>Navigation</h3>
+      <ul>
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+          <a href="../genindex.html" title="General Index"
+             >Index</a></li>
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+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_pruning_scheme.html" title="SNLINK_PRUNING_SCHEME"
+             ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_lwd_kernel.html" title="SNLINK_LWD_KERNEL"
+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+             ><i class="fa fa-book fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_MOL_WEIGHTS_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_pruning_scheme.html b/sphinxman/master/autodir_options_c/scf__snlink_pruning_scheme.html
new file mode 100644
index 00000000000..b44242032b4
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_pruning_scheme.html
@@ -0,0 +1,223 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
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+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_PRUNING_SCHEME</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
+    <link rel="stylesheet" type="text/css" href="../_static/psi4.css?v=5cda37dd" />
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+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
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+    <link rel="next" title="SNLINK_RADIAL_POINTS" href="scf__snlink_radial_points.html" />
+    <link rel="prev" title="SNLINK_MOL_WEIGHTS_KERNEL" href="scf__snlink_mol_weights_kernel.html" /> 
+        <meta name="viewport" content="width=device-width, initial-scale=1">
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+    <div class="relbar-top">
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+      <h3>Navigation</h3>
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+             >modules</a> &nbsp; &nbsp;</li>
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+        <li class="right" >
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+
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+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_PRUNING_SCHEME</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-pruning-scheme">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_PRUNING_SCHEME-SCF"><span class="xref std std-term">SNLINK_PRUNING_SCHEME</span></a><a class="headerlink" href="#snlink-pruning-scheme" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Pruning scheme for snLinK grids</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: ROBUST, TREUTLER, NONE</p></li>
+<li><p><strong>Default</strong>: ROBUST</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+             >modules</a> &nbsp; &nbsp;</li>
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+        <li class="right" >
+          <a href="scf__snlink_mol_weights_kernel.html" title="SNLINK_MOL_WEIGHTS_KERNEL"
+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_PRUNING_SCHEME</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
+    &#169; Copyright 2007-2024, The Psi4 Project.
+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_radial_points.html b/sphinxman/master/autodir_options_c/scf__snlink_radial_points.html
new file mode 100644
index 00000000000..c342be17bc1
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_radial_points.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
+
+
+
+
+<!DOCTYPE html>
+
+<html lang="en" data-content_root="../">
+  <head>
+    <meta charset="utf-8" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_RADIAL_POINTS</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
+    <link rel="stylesheet" type="text/css" href="../_static/psi4.css?v=5cda37dd" />
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+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
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+    <link rel="search" title="Search" href="../search.html" />
+    <link rel="next" title="SNLINK_RADIAL_SCHEME" href="scf__snlink_radial_scheme.html" />
+    <link rel="prev" title="SNLINK_PRUNING_SCHEME" href="scf__snlink_pruning_scheme.html" /> 
+        <meta name="viewport" content="width=device-width, initial-scale=1">
+  </head><body>
+    <div class="relbar-top">
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+    <div class="related" role="navigation" aria-label="Related">
+      <h3>Navigation</h3>
+      <ul>
+        <li class="right" style="margin-right: 10px">
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+             accesskey="I">Index</a></li>
+        <li class="right" >
+          <a href="../py-modindex.html" title="Python Module Index"
+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_radial_scheme.html" title="SNLINK_RADIAL_SCHEME"
+             accesskey="N"><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_pruning_scheme.html" title="SNLINK_PRUNING_SCHEME"
+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+    <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_radial_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_RADIAL_POINTS</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-radial-points">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_RADIAL_POINTS-SCF"><span class="xref std std-term">SNLINK_RADIAL_POINTS</span></a><a class="headerlink" href="#snlink-radial-points" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Number of radial points in snLinK grid.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 70</p></li>
+</ul>
+</div></blockquote>
+</section>
+
+
+            <div class="clearer"></div>
+          </div>
+        </div>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
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+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_RADIAL_POINTS</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
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\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_radial_scheme.html b/sphinxman/master/autodir_options_c/scf__snlink_radial_scheme.html
new file mode 100644
index 00000000000..bf888714aed
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_radial_scheme.html
@@ -0,0 +1,223 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
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+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_RADIAL_SCHEME</title>
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+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
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+        <meta name="viewport" content="width=device-width, initial-scale=1">
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+    <div class="relbar-top">
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+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_RADIAL_SCHEME</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-radial-scheme">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_RADIAL_SCHEME-SCF"><span class="xref std std-term">SNLINK_RADIAL_SCHEME</span></a><a class="headerlink" href="#snlink-radial-scheme" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Radial Scheme for snLinK grid. MURA is default here as it matches the GauXC default option</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: MURA, TREUTLER, EM</p></li>
+<li><p><strong>Default</strong>: MURA</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_RADIAL_SCHEME</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
+    &#169; Copyright 2007-2024, The Psi4 Project.
+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_reduction_kernel.html b/sphinxman/master/autodir_options_c/scf__snlink_reduction_kernel.html
new file mode 100644
index 00000000000..8f2135c03c4
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_reduction_kernel.html
@@ -0,0 +1,223 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
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+    <meta charset="utf-8" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_REDUCTION_KERNEL</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
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+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
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+    <link rel="next" title="SNLINK_SPHERICAL_POINTS" href="scf__snlink_spherical_points.html" />
+    <link rel="prev" title="SNLINK_RADIAL_SCHEME" href="scf__snlink_radial_scheme.html" /> 
+        <meta name="viewport" content="width=device-width, initial-scale=1">
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+             >modules</a> &nbsp; &nbsp;</li>
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+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_REDUCTION_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-reduction-kernel">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_REDUCTION_KERNEL-SCF"><span class="xref std std-term">SNLINK_REDUCTION_KERNEL</span></a><a class="headerlink" href="#snlink-reduction-kernel" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Integrator reduction kernel for snLinK  GauXC also has NCCL, but it is incompatible with Psi4 due to requiring MPI.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, BASICMPI</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</div></blockquote>
+</section>
+
+
+            <div class="clearer"></div>
+          </div>
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+             >Index</a></li>
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+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_spherical_points.html" title="SNLINK_SPHERICAL_POINTS"
+             ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_radial_scheme.html" title="SNLINK_RADIAL_SCHEME"
+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_REDUCTION_KERNEL</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
+    &#169; Copyright 2007-2024, The Psi4 Project.
+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_spherical_points.html b/sphinxman/master/autodir_options_c/scf__snlink_spherical_points.html
new file mode 100644
index 00000000000..21ab3ddb04e
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_spherical_points.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
+
+
+
+
+<!DOCTYPE html>
+
+<html lang="en" data-content_root="../">
+  <head>
+    <meta charset="utf-8" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_SPHERICAL_POINTS</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
+    <link rel="stylesheet" type="text/css" href="../_static/psi4.css?v=5cda37dd" />
+    <link rel="stylesheet" type="text/css" href="../_static/graphviz.css?v=fd3f3429" />
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+    <link rel="stylesheet" type="text/css" href="../_static/tabs.css?v=a5c4661c" />
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+    <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
+    <script>window.MathJax = {"tex": {"inlineMath": [["$", "$"], ["\\(", "\\)"]], "processEscapes": true}, "options": {"ignoreHtmlClass": "tex2jax_ignore|mathjax_ignore|document", "processHtmlClass": "tex2jax_process|mathjax_process|math|output_area"}}</script>
+    <script defer="defer" src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
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+        <script src="../_static/jquery.cookie.js"></script>
+    
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+     
+        <script src="../_static/cloud.base.js"></script>
+    
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+        <script src="../_static/cloud.js"></script>
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+    <link rel="index" title="Index" href="../genindex.html" />
+    <link rel="search" title="Search" href="../search.html" />
+    <link rel="next" title="SNLINK_USE_DEBUG_GRID" href="scf__snlink_use_debug_grid.html" />
+    <link rel="prev" title="SNLINK_REDUCTION_KERNEL" href="scf__snlink_reduction_kernel.html" /> 
+        <meta name="viewport" content="width=device-width, initial-scale=1">
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+    <div class="relbar-top">
+        
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+      <h3>Navigation</h3>
+      <ul>
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+        <li class="right" >
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+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+        <li class="right" >
+          <a href="scf__snlink_reduction_kernel.html" title="SNLINK_REDUCTION_KERNEL"
+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="../index.html" title="Table Of Contents"
+             accesskey="C"><i class="fa fa-book fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_spherical_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_SPHERICAL_POINTS</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-spherical-points">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_SPHERICAL_POINTS-SCF"><span class="xref std std-term">SNLINK_SPHERICAL_POINTS</span></a><a class="headerlink" href="#snlink-spherical-points" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Number of spherical points in snLinK grid.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 302</p></li>
+</ul>
+</div></blockquote>
+</section>
+
+
+            <div class="clearer"></div>
+          </div>
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+             >Index</a></li>
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+             >modules</a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+             ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
+          <a href="scf__snlink_reduction_kernel.html" title="SNLINK_REDUCTION_KERNEL"
+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+             ><i class="fa fa-book fa-lg"></i></a> &nbsp; &nbsp;</li>
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-2"><a href="../autodoc_options_c_bymodule.html" >Keywords by Module</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_SPHERICAL_POINTS</span></a></li> 
+      </ul>
+    </div>
+    </div>
+
+    <div class="footer" role="contentinfo">
+    &#169; Copyright 2007-2024, The Psi4 Project.
+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_use_debug_grid.html b/sphinxman/master/autodir_options_c/scf__snlink_use_debug_grid.html
new file mode 100644
index 00000000000..d2830da369a
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_use_debug_grid.html
@@ -0,0 +1,222 @@
+<!-- 
+#
+# @BEGIN LICENSE
+#
+# Psi4: an open-source quantum chemistry software package
+#
+# Copyright (c) 2007-2017 The Psi4 Developers.
+#
+# The copyrights for code used from other parties are included in
+# the corresponding files.
+#
+# This file is part of Psi4.
+#
+# Psi4 is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License as published by
+# the Free Software Foundation, version 3.
+#
+# Psi4 is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public License along
+# with Psi4; if not, write to the Free Software Foundation, Inc.,
+# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+#
+# @END LICENSE
+# -->
+
+
+
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+
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+
+<html lang="en" data-content_root="../">
+  <head>
+    <meta charset="utf-8" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>SNLINK_USE_DEBUG_GRID</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_USE_DEBUG_GRID</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-use-debug-grid">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_USE_DEBUG_GRID-SCF"><span class="xref std std-term">SNLINK_USE_DEBUG_GRID</span></a><a class="headerlink" href="#snlink-use-debug-grid" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Overwrite sn-LinK grid options with debug grid matching GauXC’s Ultrafine grid spec</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
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+    </div>
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\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_use_gpu.html b/sphinxman/master/autodir_options_c/scf__snlink_use_gpu.html
new file mode 100644
index 00000000000..7b328837d96
--- /dev/null
+++ b/sphinxman/master/autodir_options_c/scf__snlink_use_gpu.html
@@ -0,0 +1,222 @@
+<!-- 
+#
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+             accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
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+
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" accesskey="U">SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_USE_GPU</span></a></li> 
+      </ul>
+    </div>
+    </div>
+  
+
+    <div class="document">
+      <div class="documentwrapper">
+        <div class="bodywrapper">
+          <div class="body" role="main">
+            
+  <section id="snlink-use-gpu">
+<h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-SNLINK_USE_GPU-SCF"><span class="xref std std-term">SNLINK_USE_GPU</span></a><a class="headerlink" href="#snlink-use-gpu" title="Link to this heading">¶</a></h1>
+<blockquote>
+<div><p>Use GPU for GauXC?</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="../notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</div></blockquote>
+</section>
+
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+             >Index</a></li>
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+             >modules</a> &nbsp; &nbsp;</li>
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+             ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+             ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
+        <li class="right" >
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+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
+    <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
+    <li class="nav-item nav-item-0"><a href="../index.html">
+        <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
+        </a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+
+          <li class="nav-item nav-item-1"><a href="../appendices.html" >Appendices</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
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+          <li class="nav-item nav-item-3"><a href="module__scf.html" >SCF</a><i class="fa fa-angle-double-right" style="color: #a2a7b3; text-shadow: none;"></i></li>
+        <li class="nav-item nav-item-this"><a href=""><span class="xref std std-term">SNLINK_USE_GPU</span></a></li> 
+      </ul>
+    </div>
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+      Last updated on Monday, 09 September 2024 08:09PM.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
+    </div>
+    <!-- cloud_sptheme 1.4 -->
+  </body>
+</html>
\ No newline at end of file
diff --git a/sphinxman/master/autodir_options_c/scf__solver_convergence.html b/sphinxman/master/autodir_options_c/scf__solver_convergence.html
index 3ca66f2856d..43ebcc4ffdb 100644
--- a/sphinxman/master/autodir_options_c/scf__solver_convergence.html
+++ b/sphinxman/master/autodir_options_c/scf__solver_convergence.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -74,7 +74,7 @@
     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" />
     <link rel="next" title="SOLVER_MAXITER" href="scf__solver_maxiter.html" />
-    <link rel="prev" title="SCF_SUBTYPE" href="scf__scf_subtype.html" /> 
+    <link rel="prev" title="SNLINK_USE_GPU" href="scf__snlink_use_gpu.html" /> 
         <meta name="viewport" content="width=device-width, initial-scale=1">
   </head><body>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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              accesskey="N"><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
         <li class="right" >
-          <a href="scf__scf_subtype.html" title="SCF_SUBTYPE"
+          <a href="scf__snlink_use_gpu.html" title="SNLINK_USE_GPU"
              accesskey="P"><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
         <li class="right" >
           <a href="../index.html" title="Table Of Contents"
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_convergence.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -188,7 +188,7 @@ <h3>Navigation</h3>
           <a href="scf__solver_maxiter.html" title="SOLVER_MAXITER"
              ><i class="fa fa-long-arrow-right fa-lg"></i></a> &nbsp; &nbsp;</li>
         <li class="right" >
-          <a href="scf__scf_subtype.html" title="SCF_SUBTYPE"
+          <a href="scf__snlink_use_gpu.html" title="SNLINK_USE_GPU"
              ><i class="fa fa-long-arrow-left fa-lg"></i></a> &nbsp; &nbsp;</li>
         <li class="right" >
           <a href="../index.html" title="Table Of Contents"
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_convergence.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__solver_maxiter.html b/sphinxman/master/autodir_options_c/scf__solver_maxiter.html
index 5c8666e43e3..8db26f8be3f 100644
--- a/sphinxman/master/autodir_options_c/scf__solver_maxiter.html
+++ b/sphinxman/master/autodir_options_c/scf__solver_maxiter.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index aa59c8a6f12..8292127d6ab 100644
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+++ b/sphinxman/master/autodir_options_c/scf__solver_n_guess.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_n_guess.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_n_guess.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d51f5344a0f..d07b46df7e6 100644
--- a/sphinxman/master/autodir_options_c/scf__solver_n_root.html
+++ b/sphinxman/master/autodir_options_c/scf__solver_n_root.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_n_root.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_n_root.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 2943697e8f6..f9c761c4e1e 100644
--- a/sphinxman/master/autodir_options_c/scf__solver_roots_per_irrep.html
+++ b/sphinxman/master/autodir_options_c/scf__solver_roots_per_irrep.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_roots_per_irrep.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_roots_per_irrep.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index aa61d2c2982..40d82a070ae 100644
--- a/sphinxman/master/autodir_options_c/scf__soscf.html
+++ b/sphinxman/master/autodir_options_c/scf__soscf.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__soscf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e43ccc51c8f..b8f4b6510cb 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__tdscf_triplets.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/scf__thickness.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/scf__tile_sz.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
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@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -321,7 +321,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -211,7 +211,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -261,7 +261,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=44caddb6"></script>
+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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--- a/sphinxman/master/autodir_psivariables/module__sapt.html
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+    <script src="../_static/documentation_options.js?v=3583bb1d"></script>
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@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -258,7 +258,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -886,7 +886,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -202,7 +202,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -2225,7 +2225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -6017,7 +6017,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -869,7 +869,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -3605,7 +3605,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -2161,7 +2161,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -1565,7 +1565,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -3821,7 +3821,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -953,7 +953,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodoc_dft_meta.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -2114,7 +2114,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -2129,7 +2129,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_dft_opt.html b/sphinxman/master/autodoc_dft_opt.html
index bad63efe867..78ca09ffff5 100644
--- a/sphinxman/master/autodoc_dft_opt.html
+++ b/sphinxman/master/autodoc_dft_opt.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -1315,7 +1315,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_glossary_options_c.html b/sphinxman/master/autodoc_glossary_options_c.html
index 1e97d5a820d..b10bdd5bc62 100644
--- a/sphinxman/master/autodoc_glossary_options_c.html
+++ b/sphinxman/master/autodoc_glossary_options_c.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -6773,14 +6773,14 @@ <h3>Navigation</h3>
 <dt id="term-SCF_TYPE-CPHF">SCF_TYPE (CPHF)<a class="headerlink" href="#term-SCF_TYPE-CPHF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__cphf.html#apdx-cphf"><span class="std std-ref">CPHF</span></a> — SCF Type</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: DIRECT, DF, PK, OUT_OF_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+LINK, DFDIRJ+COSX</p></li>
+<li><p><strong>Possible Values</strong>: DIRECT, DF, PK, OUT_OF_CORE, PS, INDEPENDENT, GTFOCK, DFDIRJ+SNLINK, DFDIRJ+LINK, DFDIRJ+COSX</p></li>
 <li><p><strong>Default</strong>: DIRECT</p></li>
 </ul>
 </dd>
 <dt id="term-SCF_TYPE-GLOBALS">SCF_TYPE (GLOBALS)<a class="headerlink" href="#term-SCF_TYPE-GLOBALS" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__globals.html#apdx-globals"><span class="std std-ref">GLOBALS</span></a> — What algorithm to use for the SCF computation. See Table <a class="reference internal" href="scf.html#table-conv-scf"><span class="std std-ref">SCF Convergence &amp; Algorithm</span></a> for default algorithm for different calculation types.</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: DIRECT, DF, MEM_DF, DISK_DF, PK, OUT_OF_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK</p></li>
+<li><p><strong>Possible Values</strong>: DIRECT, DF, MEM_DF, DISK_DF, PK, OUT_OF_CORE, CD, GTFOCK, DFDIRJ, DFDIRJ+COSX, DFDIRJ+LINK, DFDIRJ+SNLINK</p></li>
 <li><p><strong>Default</strong>: PK</p></li>
 </ul>
 </dd>
@@ -6907,6 +6907,115 @@ <h3>Navigation</h3>
 <li><p><strong>Default</strong>: 0</p></li>
 </ul>
 </dd>
+<dt id="term-SNLINK_BASIS_TOLERANCE-SCF">SNLINK_BASIS_TOLERANCE (SCF)<a class="headerlink" href="#term-SNLINK_BASIS_TOLERANCE-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Screening criteria for basis function values on snLinK grids</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-10</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_DENSITY_TOLERANCE-SCF">SNLINK_DENSITY_TOLERANCE (SCF)<a class="headerlink" href="#term-SNLINK_DENSITY_TOLERANCE-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Screening criteria for shell-pair densities in snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-10</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_FORCE_CARTESIAN-SCF">SNLINK_FORCE_CARTESIAN (SCF)<a class="headerlink" href="#term-SNLINK_FORCE_CARTESIAN-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Force snLinK to use cartesian coordinates</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_GPU_MEM-SCF">SNLINK_GPU_MEM (SCF)<a class="headerlink" href="#term-SNLINK_GPU_MEM-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Proportion (in %) of available GPU memory to allocate to snLinK.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: 90</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_GRID_BATCH_SIZE-SCF">SNLINK_GRID_BATCH_SIZE (SCF)<a class="headerlink" href="#term-SNLINK_GRID_BATCH_SIZE-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Maximum number of grid points per grid block for GauXC</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 2048</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_INTEGRATOR_KERNEL-SCF">SNLINK_INTEGRATOR_KERNEL (SCF)<a class="headerlink" href="#term-SNLINK_INTEGRATOR_KERNEL-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Integrator execution kernel for snLinK  GauXC also has SHELLBATCHED, but it is incompatible with Psi4 due to not being yet implemented with sn-LinK.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, INCORE</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_INTS_TOLERANCE-SCF">SNLINK_INTS_TOLERANCE (SCF)<a class="headerlink" href="#term-SNLINK_INTS_TOLERANCE-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> — Screening criteria for integrals and intermediates in snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="notes_c.html#op-c-conv"><span class="std std-ref">conv double</span></a></p></li>
+<li><p><strong>Default</strong>: 1.0e-11</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_LOAD_BALANCER_KERNEL-SCF">SNLINK_LOAD_BALANCER_KERNEL (SCF)<a class="headerlink" href="#term-SNLINK_LOAD_BALANCER_KERNEL-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Load Balancer kernel for snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, REPLICATED, REPLICATED-PETITE, REPLICATED-FILLIN</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_LWD_KERNEL-SCF">SNLINK_LWD_KERNEL (SCF)<a class="headerlink" href="#term-SNLINK_LWD_KERNEL-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Integrator local work driver kernel for snLinK  GauXC also has SCHEME1-CUTLASS, but it is disabled in Psi4 for now due to compile-time issues and requiring very modern CUDA CCs (&gt;=80)</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, REFERENCE, SCHEME1, SCHEME1-MAGMA</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_MOL_WEIGHTS_KERNEL-SCF">SNLINK_MOL_WEIGHTS_KERNEL (SCF)<a class="headerlink" href="#term-SNLINK_MOL_WEIGHTS_KERNEL-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Molecular Weights kernel for snLinK</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_PRUNING_SCHEME-SCF">SNLINK_PRUNING_SCHEME (SCF)<a class="headerlink" href="#term-SNLINK_PRUNING_SCHEME-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Pruning scheme for snLinK grids</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: ROBUST, TREUTLER, NONE</p></li>
+<li><p><strong>Default</strong>: ROBUST</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_RADIAL_POINTS-SCF">SNLINK_RADIAL_POINTS (SCF)<a class="headerlink" href="#term-SNLINK_RADIAL_POINTS-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> — Number of radial points in snLinK grid.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 70</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_RADIAL_SCHEME-SCF">SNLINK_RADIAL_SCHEME (SCF)<a class="headerlink" href="#term-SNLINK_RADIAL_SCHEME-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> — Radial Scheme for snLinK grid. MURA is default here as it matches the GauXC default option</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: MURA, TREUTLER, EM</p></li>
+<li><p><strong>Default</strong>: MURA</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_REDUCTION_KERNEL-SCF">SNLINK_REDUCTION_KERNEL (SCF)<a class="headerlink" href="#term-SNLINK_REDUCTION_KERNEL-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Integrator reduction kernel for snLinK  GauXC also has NCCL, but it is incompatible with Psi4 due to requiring MPI.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: string</p></li>
+<li><p><strong>Possible Values</strong>: DEFAULT, BASICMPI</p></li>
+<li><p><strong>Default</strong>: DEFAULT</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_SPHERICAL_POINTS-SCF">SNLINK_SPHERICAL_POINTS (SCF)<a class="headerlink" href="#term-SNLINK_SPHERICAL_POINTS-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> — Number of spherical points in snLinK grid.</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: 302</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_USE_DEBUG_GRID-SCF">SNLINK_USE_DEBUG_GRID (SCF)<a class="headerlink" href="#term-SNLINK_USE_DEBUG_GRID-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> <strong>(Expert)</strong> — Overwrite sn-LinK grid options with debug grid matching GauXC’s Ultrafine grid spec</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: integer</p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</dd>
+<dt id="term-SNLINK_USE_GPU-SCF">SNLINK_USE_GPU (SCF)<a class="headerlink" href="#term-SNLINK_USE_GPU-SCF" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__scf.html#apdx-scf"><span class="std std-ref">SCF</span></a> — Use GPU for GauXC?</p>
+<ul class="simple">
+<li><p><strong>Type</strong>: <a class="reference internal" href="notes_c.html#op-c-boolean"><span class="std std-ref">boolean</span></a></p></li>
+<li><p><strong>Default</strong>: false</p></li>
+</ul>
+</dd>
 <dt id="term-SOCC-GLOBALS">SOCC (GLOBALS)<a class="headerlink" href="#term-SOCC-GLOBALS" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__globals.html#apdx-globals"><span class="std std-ref">GLOBALS</span></a> — An array containing the number of singly-occupied orbitals per irrep (in Cotton order). The value of <a class="reference internal" href="#term-DOCC-GLOBALS"><span class="xref std std-term">DOCC</span></a> should also be set.</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: array</p></li>
@@ -7688,7 +7797,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodoc_glossary_options_c.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -41400,7 +41400,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 3f9d2e743bd..4a0fbaa793e 100644
--- a/sphinxman/master/basissets_byfamily.html
+++ b/sphinxman/master/basissets_byfamily.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2232,7 +2232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f587b085457..4c131ffdfed 100644
--- a/sphinxman/master/basissets_tables.html
+++ b/sphinxman/master/basissets_tables.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1097,7 +1097,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/bibliography.html b/sphinxman/master/bibliography.html
index 2b0b6e1d754..aabca71c879 100644
--- a/sphinxman/master/bibliography.html
+++ b/sphinxman/master/bibliography.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -982,6 +982,23 @@ <h3>Navigation</h3>
 <a class="reference external" href="https://doi.org/10.1063/5.0040021">https://doi.org/10.1063/5.0040021</a></p>
 </div>
 </div>
+<div role="list" class="citation-list">
+<div class="citation" id="williams-young-2023-234104" role="doc-biblioentry">
+<span class="label"><span class="fn-bracket">[</span>Williams-Young:2023:234104<span class="fn-bracket">]</span></span>
+<p>“Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory”
+D. B. Williams-Young and A. Asadchev and D. T. Popovici and D. Clark and J. Waldrop and T.L. Windus and E. F. Valeev and W. A. de Jong
+<em>J. Chem. Phys.</em> <strong>158</strong>, 234104 (2023).
+<a class="reference external" href="https://doi.org/10.1063/5.0151070">https://doi.org/10.1063/5.0151070</a></p>
+</div>
+<div class="citation" id="laqua-2020-1456" role="doc-biblioentry">
+<span class="label"><span class="fn-bracket">[</span>Laqua:2020:1456<span class="fn-bracket">]</span></span>
+<p>“Highly Efficient, Linear-Scaling Seminumerical Exact-Exchange Method for Graphic Processing Units”
+H. Laqua and T. H. Thompson and J. Kussmann and C. Ochsenfeld
+<em>J. Chem. Theory Comput.</em> <strong>16</strong>, 1456-1468 (2020)
+<a class="reference external" href="https://doi.org/10.1021/acs.jctc.9b00860">https://doi.org/10.1021/acs.jctc.9b00860</a></p>
+</div>
+</div>
+<p>&gt;&gt;&gt;&gt;&gt;&gt;&gt; Other build cleanups and documentation updates</p>
 </section>
 
 
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/bibliography.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1063,7 +1080,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3cea8be5c3d..63fff9ee7cc 100644
--- a/sphinxman/master/brianqc.html
+++ b/sphinxman/master/brianqc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -369,7 +369,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 237c4ddbf8c..46b2f4c8e27 100644
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -358,7 +358,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 645ef92f996..8e1bc51897b 100644
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/build_obtaining.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -436,7 +436,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/build_obtaining.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -450,7 +450,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/build_planning.html b/sphinxman/master/build_planning.html
index caf311fc021..59a7f26f7d8 100644
--- a/sphinxman/master/build_planning.html
+++ b/sphinxman/master/build_planning.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/build_planning.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -560,7 +560,7 @@ <h3>Navigation</h3>
 #    - SPHINX_ROOT &quot;Root directory for Sphinx: &#39;bin/sphinx-build&#39; (or similar) should be in this dir.&quot;
 #
 #    For any ${AddOn} of: ambit, CheMPS2, dkh, ecpint, libefp, Einsums, gau2grid, gdma, Libint2, PCMSolver, pybind11, pylibefp,
-#                         qcelemental, qcengine, optking, simint, Libxc, IntegratorXX
+#                         qcelemental, qcengine, optking, simint, Libxc, IntegratorXX, gauxc
 #    - CMAKE_PREFIX_PATH &quot;Set to list of root directories to look for externally built add-ons and dependencies
 #      (e.g., /path/to/install-libint;/path/to/install-gdma where exists /path/to/install-libint/lib/libderiv.a)&quot;
 #    - ${AddOn}_DIR &quot;Set to directory containing ${AddOn}Config.cmake file to facilitate detection of external build&quot;
@@ -600,6 +600,7 @@ <h3>Navigation</h3>
 option(ENABLE_libefp &quot;Enables LIBEFP and PylibEFP for fragments&quot; OFF)
 option(ENABLE_Einsums &quot;Enables the Einsums tensor library&quot; OFF)
 option(ENABLE_simint &quot;Enables use of SIMINT two-electron integral library&quot; OFF)
+option(ENABLE_gauxc &quot;Enables use of GauXC density functional library&quot; OFF)
 option(ENABLE_gdma &quot;Enables Stone&#39;s GDMA multipole code (requires Fortran; can also be added at runtime)&quot; OFF)
 option(ENABLE_PCMSolver &quot;Enables PCMSolver library (requires Fortran)&quot; OFF)
 option(ENABLE_snsmp2 &quot;Enables SNSMP2 plugin (can also be added at runtime)&quot; OFF)
@@ -619,7 +620,6 @@ <h3>Navigation</h3>
   set(ENABLE_pasture ON)
   message(STATUS &quot;Enabling pasture plugins&quot;)
 endif()
-
 </pre></div>
 </div>
 <p>Note that external projects will have their own sets of build
@@ -1935,7 +1935,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/build_planning.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1949,7 +1949,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/capabilities.html b/sphinxman/master/capabilities.html
index 17d18ee7e2d..6ba62c2b4d3 100644
--- a/sphinxman/master/capabilities.html
+++ b/sphinxman/master/capabilities.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/capabilities.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -4946,7 +4946,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/capabilities.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -4960,7 +4960,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/cbs.html b/sphinxman/master/cbs.html
index 13bca15789c..7b9d1643840 100644
--- a/sphinxman/master/cbs.html
+++ b/sphinxman/master/cbs.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1553,7 +1553,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1567,7 +1567,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/cbs_eqn.html b/sphinxman/master/cbs_eqn.html
index a4abecd911f..8be4615ed53 100644
--- a/sphinxman/master/cbs_eqn.html
+++ b/sphinxman/master/cbs_eqn.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cbs_eqn.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cbs_eqn.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/cc.html b/sphinxman/master/cc.html
index 3e065254b21..5c5cc36b706 100644
--- a/sphinxman/master/cc.html
+++ b/sphinxman/master/cc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1014,7 +1014,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1028,7 +1028,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/cfour.html b/sphinxman/master/cfour.html
index 88c79755d88..c486d6190fd 100644
--- a/sphinxman/master/cfour.html
+++ b/sphinxman/master/cfour.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cfour.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1140,7 +1140,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cfour.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d0bf115e895..a9443828f86 100644
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -531,7 +531,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -545,7 +545,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/customizing.html b/sphinxman/master/customizing.html
index 7b79177c765..25751c0965e 100644
--- a/sphinxman/master/customizing.html
+++ b/sphinxman/master/customizing.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/db.html b/sphinxman/master/db.html
index 2022febd57c..4a83dce9c43 100644
--- a/sphinxman/master/db.html
+++ b/sphinxman/master/db.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -1166,7 +1166,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1180,7 +1180,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/dct.html b/sphinxman/master/dct.html
index c4d82edc28e..67206fe65ea 100644
--- a/sphinxman/master/dct.html
+++ b/sphinxman/master/dct.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -519,7 +519,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -533,7 +533,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/ddx.html b/sphinxman/master/ddx.html
index 6637ac3d78b..7f824fd1fae 100644
--- a/sphinxman/master/ddx.html
+++ b/sphinxman/master/ddx.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -674,7 +674,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -688,7 +688,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/detci.html b/sphinxman/master/detci.html
index fa6a142e54e..987fbad3402 100644
--- a/sphinxman/master/detci.html
+++ b/sphinxman/master/detci.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -608,7 +608,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -622,7 +622,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/dfmp2.html b/sphinxman/master/dfmp2.html
index 5fc4eb0ade8..6c0c9ed5c4b 100644
--- a/sphinxman/master/dfmp2.html
+++ b/sphinxman/master/dfmp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -529,7 +529,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -543,7 +543,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/dft.html b/sphinxman/master/dft.html
index 631b2662871..44a8f39210d 100644
--- a/sphinxman/master/dft.html
+++ b/sphinxman/master/dft.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -1561,7 +1561,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bde886cfce6..eef09f709f5 100644
--- a/sphinxman/master/dft_byfunctional.html
+++ b/sphinxman/master/dft_byfunctional.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -17790,7 +17790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0ed8f8c6a15..abecfa64696 100644
--- a/sphinxman/master/dftd3.html
+++ b/sphinxman/master/dftd3.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -972,7 +972,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9a286f715ea..01660bd0a4e 100644
--- a/sphinxman/master/dftnl.html
+++ b/sphinxman/master/dftnl.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/diatomic.html b/sphinxman/master/diatomic.html
index 2ea88989578..2a3a04692c8 100644
--- a/sphinxman/master/diatomic.html
+++ b/sphinxman/master/diatomic.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4f9c771e433..a9d2c2ed53f 100644
--- a/sphinxman/master/dkh.html
+++ b/sphinxman/master/dkh.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -349,7 +349,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -363,7 +363,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/dlpnomp2.html b/sphinxman/master/dlpnomp2.html
index d2d1aecd016..5bde293ac46 100644
--- a/sphinxman/master/dlpnomp2.html
+++ b/sphinxman/master/dlpnomp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -344,7 +344,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -358,7 +358,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/documentation.html b/sphinxman/master/documentation.html
index 4b3f492df35..963e2b92e4b 100644
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+++ b/sphinxman/master/documentation.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -361,7 +361,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -374,7 +374,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2cf09528870..1af3c641efb 100644
--- a/sphinxman/master/ecpint.html
+++ b/sphinxman/master/ecpint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -290,7 +290,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/energy.html b/sphinxman/master/energy.html
index 7b0ae8c5774..73fc8e2cca5 100644
--- a/sphinxman/master/energy.html
+++ b/sphinxman/master/energy.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -2765,7 +2765,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2779,7 +2779,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/external.html b/sphinxman/master/external.html
index d25a4d332ef..78ddae21756 100644
--- a/sphinxman/master/external.html
+++ b/sphinxman/master/external.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/external.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -935,7 +935,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -948,7 +948,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/external_apis.html b/sphinxman/master/external_apis.html
index 864d364b5d7..130a74fb8be 100644
--- a/sphinxman/master/external_apis.html
+++ b/sphinxman/master/external_apis.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -98,7 +98,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -477,7 +477,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -490,7 +490,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/fchk.html b/sphinxman/master/fchk.html
index 3f341f0344e..dd6848dca27 100644
--- a/sphinxman/master/fchk.html
+++ b/sphinxman/master/fchk.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -273,7 +273,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/fisapt.html b/sphinxman/master/fisapt.html
index 1d445473827..3bec2c0d255 100644
--- a/sphinxman/master/fisapt.html
+++ b/sphinxman/master/fisapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -626,7 +626,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -640,7 +640,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/fnocc.html b/sphinxman/master/fnocc.html
index 1ea68a2c6ba..37f6eb788b7 100644
--- a/sphinxman/master/fnocc.html
+++ b/sphinxman/master/fnocc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/fnocc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1302,7 +1302,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/fnocc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1316,7 +1316,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/freq.html b/sphinxman/master/freq.html
index 5baaeda8604..4690e419d13 100644
--- a/sphinxman/master/freq.html
+++ b/sphinxman/master/freq.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/freq.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -735,7 +735,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/freq.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -749,7 +749,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/gau2grid.html b/sphinxman/master/gau2grid.html
index c4dc2818ab3..5dd4d2ac08e 100644
--- a/sphinxman/master/gau2grid.html
+++ b/sphinxman/master/gau2grid.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/gau2grid.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -282,7 +282,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/gau2grid.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -296,7 +296,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/gcp.html b/sphinxman/master/gcp.html
index 997d8479890..ddfd5b580a9 100644
--- a/sphinxman/master/gcp.html
+++ b/sphinxman/master/gcp.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/gcp.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -340,7 +340,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/gcp.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -354,7 +354,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/gdma.html b/sphinxman/master/gdma.html
index 6f638bd2bc2..ff1d1620d39 100644
--- a/sphinxman/master/gdma.html
+++ b/sphinxman/master/gdma.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/gdma.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -423,7 +423,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/gdma.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -437,7 +437,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/genindex.html b/sphinxman/master/genindex.html
index 0b09e6a1b82..eec87e20b5b 100644
--- a/sphinxman/master/genindex.html
+++ b/sphinxman/master/genindex.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/genindex.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2460,6 +2460,8 @@ <h2 id="C">C</h2>
 </li>
       </ul></li>
       <li><a href="api/psi4.driver.ConvergenceError.html#psi4.driver.ConvergenceError">ConvergenceError</a>
+</li>
+      <li><a href="api/psi4.core.GaussianShell.html#psi4.core.GaussianShell.coord">coord() (psi4.core.GaussianShell method)</a>
 </li>
       <li><a href="api/psi4.core.CIVector.html#psi4.core.CIVector.copy">copy() (psi4.core.CIVector method)</a>
 
@@ -4658,6 +4660,8 @@ <h2 id="G">G</h2>
       <li><a href="api/psi4.core.DFHelper.html#psi4.core.DFHelper.get_schwarz_cutoff">get_schwarz_cutoff() (psi4.core.DFHelper method)</a>
 </li>
       <li><a href="api/psi4.core.Wavefunction.html#psi4.core.Wavefunction.get_scratch_filename">get_scratch_filename() (psi4.core.Wavefunction method)</a>
+</li>
+      <li><a href="api/psi4.core.CompositeJK.html#psi4.core.CompositeJK.get_snLinK_max_am">get_snLinK_max_am() (psi4.core.CompositeJK method)</a>
 </li>
       <li><a href="api/psi4.core.DFHelper.html#psi4.core.DFHelper.get_space_size">get_space_size() (psi4.core.DFHelper method)</a>
 </li>
@@ -8458,8 +8462,6 @@ <h2 id="S">S</h2>
       </ul></li>
       <li><a href="api/psi4.driver.p4util.InPsight.html#psi4.driver.p4util.InPsight.set_color">set_color() (psi4.driver.p4util.InPsight method)</a>
 </li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="api/psi4.core.Molecule.html#psi4.core.Molecule.set_comment">set_comment() (psi4.core.Molecule method)</a>
 </li>
       <li><a href="api/psi4.core.Molecule.html#psi4.core.Molecule.set_connectivity">set_connectivity() (psi4.core.Molecule method)</a>
@@ -8478,6 +8480,8 @@ <h2 id="S">S</h2>
 </li>
       <li><a href="api/psi4.core.OEProp.html#psi4.core.OEProp.set_Da_so">set_Da_so() (psi4.core.OEProp method)</a>
 </li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="api/psi4.core.set_datadir.html#psi4.core.set_datadir">set_datadir() (in module psi4.core)</a>
 </li>
       <li><a href="api/psi4.core.OEProp.html#psi4.core.OEProp.set_Db_ao">set_Db_ao() (psi4.core.OEProp method)</a>
@@ -8910,6 +8914,40 @@ <h2 id="S">S</h2>
       <li><a href="api/psi4.core.Slice.html#psi4.core.Slice">Slice (class in psi4.core)</a>
 </li>
       <li><a href="autodoc_glossary_options_c.html#term-SMALL_CUTOFF-PSIMRCC"><strong>SMALL_CUTOFF (PSIMRCC)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_BASIS_TOLERANCE-SCF"><strong>SNLINK_BASIS_TOLERANCE (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_DENSITY_TOLERANCE-SCF"><strong>SNLINK_DENSITY_TOLERANCE (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_FORCE_CARTESIAN-SCF"><strong>SNLINK_FORCE_CARTESIAN (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_GPU_MEM-SCF"><strong>SNLINK_GPU_MEM (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_GRID_BATCH_SIZE-SCF"><strong>SNLINK_GRID_BATCH_SIZE (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_INTEGRATOR_KERNEL-SCF"><strong>SNLINK_INTEGRATOR_KERNEL (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_INTS_TOLERANCE-SCF"><strong>SNLINK_INTS_TOLERANCE (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_LOAD_BALANCER_KERNEL-SCF"><strong>SNLINK_LOAD_BALANCER_KERNEL (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_LWD_KERNEL-SCF"><strong>SNLINK_LWD_KERNEL (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_MOL_WEIGHTS_KERNEL-SCF"><strong>SNLINK_MOL_WEIGHTS_KERNEL (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_PRUNING_SCHEME-SCF"><strong>SNLINK_PRUNING_SCHEME (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_RADIAL_POINTS-SCF"><strong>SNLINK_RADIAL_POINTS (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_RADIAL_SCHEME-SCF"><strong>SNLINK_RADIAL_SCHEME (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_REDUCTION_KERNEL-SCF"><strong>SNLINK_REDUCTION_KERNEL (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_SPHERICAL_POINTS-SCF"><strong>SNLINK_SPHERICAL_POINTS (SCF)</strong></a>
+</li>
+      <li><a href="autodoc_glossary_options_c.html#term-SNLINK_USE_DEBUG_GRID-SCF"><strong>SNLINK_USE_DEBUG_GRID (SCF)</strong></a>
+</li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -10072,7 +10110,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -3178,7 +3178,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a7f35d96dc0..7aba1f2baf9 100644
--- a/sphinxman/master/index.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -462,7 +462,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 24a835cc87f..b63502b6db8 100644
--- a/sphinxman/master/index_tutorials.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index dafa76e993a..cad06344f18 100644
--- a/sphinxman/master/intercalls.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -280,7 +280,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 2c8268ded16..466de769e22 100644
--- a/sphinxman/master/interfacing.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -361,7 +361,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 218c3d8e974..205d3ae46d7 100644
--- a/sphinxman/master/introduction.html
+++ b/sphinxman/master/introduction.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2877,7 +2877,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/libefp.html b/sphinxman/master/libefp.html
index 33db6127c82..685a406bab0 100644
--- a/sphinxman/master/libefp.html
+++ b/sphinxman/master/libefp.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -491,7 +491,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e1c0a7d8a02..6fa243443f5 100644
--- a/sphinxman/master/libint.html
+++ b/sphinxman/master/libint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -314,7 +314,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 31e192cad37..8209c9f394e 100644
--- a/sphinxman/master/libxc.html
+++ b/sphinxman/master/libxc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -298,7 +298,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/manage_addon.html b/sphinxman/master/manage_addon.html
index 034335c889b..02381ec7c6c 100644
--- a/sphinxman/master/manage_addon.html
+++ b/sphinxman/master/manage_addon.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -468,7 +468,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -482,7 +482,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/manage_git.html b/sphinxman/master/manage_git.html
index 6b4a19ce607..3b714afdb36 100644
--- a/sphinxman/master/manage_git.html
+++ b/sphinxman/master/manage_git.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -524,7 +524,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -538,7 +538,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/manage_index.html b/sphinxman/master/manage_index.html
index 18a6a207ecf..9c3874b5a1a 100644
--- a/sphinxman/master/manage_index.html
+++ b/sphinxman/master/manage_index.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/manage_release.html b/sphinxman/master/manage_release.html
index e21f1031f8f..4121b05a86f 100644
--- a/sphinxman/master/manage_release.html
+++ b/sphinxman/master/manage_release.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -852,7 +852,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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 <li class="toctree-l2"><a class="reference internal" href="scf.html#linear-exchange">Linear Exchange</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -338,7 +338,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/optking.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1132,7 +1132,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1146,7 +1146,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/pcmsolver.html b/sphinxman/master/pcmsolver.html
index a9ba555beb0..1d44a6dd832 100644
--- a/sphinxman/master/pcmsolver.html
+++ b/sphinxman/master/pcmsolver.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/pcmsolver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -411,7 +411,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -425,7 +425,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/pep0001.html b/sphinxman/master/pep0001.html
index df81160dd95..dd47a48989c 100644
--- a/sphinxman/master/pep0001.html
+++ b/sphinxman/master/pep0001.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/plugin_psi4fockci.html b/sphinxman/master/plugin_psi4fockci.html
index a9b6a7786e9..6aea1e9481b 100644
--- a/sphinxman/master/plugin_psi4fockci.html
+++ b/sphinxman/master/plugin_psi4fockci.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/plugin_snsmp2.html b/sphinxman/master/plugin_snsmp2.html
index 7e23d94ea6a..f3f503ce7b1 100644
--- a/sphinxman/master/plugin_snsmp2.html
+++ b/sphinxman/master/plugin_snsmp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/plugin_snsmp2.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/plugin_snsmp2.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -282,7 +282,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 49e7c9a36ba..9a4b4cdd2e0 100644
--- a/sphinxman/master/plugin_v2rdm_casscf.html
+++ b/sphinxman/master/plugin_v2rdm_casscf.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/plugin_v2rdm_casscf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/plugins.html b/sphinxman/master/plugins.html
index a41e267cedd..dd430786a17 100644
--- a/sphinxman/master/plugins.html
+++ b/sphinxman/master/plugins.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/plugins.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -390,7 +390,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5143f69cf1b..06a4f9d8707 100644
--- a/sphinxman/master/prog_help.html
+++ b/sphinxman/master/prog_help.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_integrals.html b/sphinxman/master/prog_integrals.html
index ae6ad9f7150..c12ac0c8ce6 100644
--- a/sphinxman/master/prog_integrals.html
+++ b/sphinxman/master/prog_integrals.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -653,7 +653,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -666,7 +666,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_intro.html b/sphinxman/master/prog_intro.html
index 8507257f180..d8ab08cb9a5 100644
--- a/sphinxman/master/prog_intro.html
+++ b/sphinxman/master/prog_intro.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_newcode.html b/sphinxman/master/prog_newcode.html
index cab05482e64..56557466b93 100644
--- a/sphinxman/master/prog_newcode.html
+++ b/sphinxman/master/prog_newcode.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_setup.html b/sphinxman/master/prog_setup.html
index e577690bbb2..35f1d5feb02 100644
--- a/sphinxman/master/prog_setup.html
+++ b/sphinxman/master/prog_setup.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_setup.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -203,7 +203,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/prog_style_c.html b/sphinxman/master/prog_style_c.html
index c362000d4a8..c7d84071384 100644
--- a/sphinxman/master/prog_style_c.html
+++ b/sphinxman/master/prog_style_c.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -290,7 +290,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_style_py.html b/sphinxman/master/prog_style_py.html
index 07763c82550..2e2380a8453 100644
--- a/sphinxman/master/prog_style_py.html
+++ b/sphinxman/master/prog_style_py.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3094fa2f3c6..06981fe710a 100644
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+++ b/sphinxman/master/prog_tour.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ecd9cf27d67..d1bd1a249a9 100644
--- a/sphinxman/master/prog_ways_to_add.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -309,7 +309,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prop.html b/sphinxman/master/prop.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -353,7 +353,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 47cc0d4e1ea..2236d52a70c 100644
--- a/sphinxman/master/psi4api.html
+++ b/sphinxman/master/psi4api.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -1605,7 +1605,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7d0f9bd7e46..d947381b933 100644
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+++ b/sphinxman/master/psiapi.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -585,7 +585,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
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+++ b/sphinxman/master/psimrcc.html
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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@@ -353,7 +353,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -367,7 +367,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a3faecf5b64..af9c1e47896 100644
--- a/sphinxman/master/psipep.html
+++ b/sphinxman/master/psipep.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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@@ -193,7 +193,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 66f65a2b9d6..1de03fb7f5d 100644
--- a/sphinxman/master/psithonfunc.html
+++ b/sphinxman/master/psithonfunc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -246,7 +246,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -259,7 +259,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/psithoninput.html
+++ b/sphinxman/master/psithoninput.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/psithonmol.html
+++ b/sphinxman/master/psithonmol.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -900,7 +900,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -914,7 +914,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f1c1132049d..c8ce0febfea 100644
--- a/sphinxman/master/py-modindex.html
+++ b/sphinxman/master/py-modindex.html
@@ -46,7 +46,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -95,7 +95,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b23cbb044fc..bd372342b5d 100644
--- a/sphinxman/master/quickaddalias.html
+++ b/sphinxman/master/quickaddalias.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/relativistic.html b/sphinxman/master/relativistic.html
index 160ff705567..6f1bda65467 100644
--- a/sphinxman/master/relativistic.html
+++ b/sphinxman/master/relativistic.html
@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/sapt.html b/sphinxman/master/sapt.html
index 8209ed79674..47fb7786070 100644
--- a/sphinxman/master/sapt.html
+++ b/sphinxman/master/sapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -1629,7 +1629,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/scf.html b/sphinxman/master/scf.html
index 4bbb8ea5722..a5cc9eb761f 100644
--- a/sphinxman/master/scf.html
+++ b/sphinxman/master/scf.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -763,8 +763,7 @@ <h3>Navigation</h3>
 are as follows:</p>
 <dl class="simple">
 <dt>COSX</dt><dd><p>An algorithm based on the semi-numerical “chain of spheres exchange” (COSX)
-approach described in <a class="reference internal" href="bibliography.html#neese-2009-98" id="id18"><span>[Neese:2009:98]</span></a>. The coulomb term is computed with a
-direct density-fitting algorithm. The COSX algorithm uses no I/O, scales
+approach described in <a class="reference internal" href="bibliography.html#neese-2009-98" id="id18"><span>[Neese:2009:98]</span></a>. The COSX algorithm uses no I/O, scales
 well with system size, and requires minimal memory, making it ideal for
 large systems and multi-core CPUs. See <a class="reference internal" href="#sec-scfcosx"><span class="std std-ref">COSX Exchange</span></a> for more information.</p>
 </dd>
@@ -776,6 +775,14 @@ <h3>Navigation</h3>
 while simultaneously providing a formally-exact computation of the
 Exchange term. See <a class="reference internal" href="#sec-scflink"><span class="std std-ref">Linear Exchange</span></a> for more information.</p>
 </dd>
+<dt>SNLINK</dt><dd><p>An algorithm based on the “seminumerical Linear Exchange” (sn-LinK)
+approach described in <a class="reference internal" href="bibliography.html#laqua-2020-1456" id="id20"><span>[Laqua:2020:1456]</span></a>, SNLINK is only available if <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>
+is compiled with the GauXC library, described in <a class="reference internal" href="bibliography.html#williams-young-2023-234104" id="id21"><span>[Williams-Young:2023:234104]</span></a>.
+Algorithmically, SNLINK is very similar to COSX, differing primarily in screening of
+the analytic 3-center integrals. In terms of implementation, SNLINK is more efficient,
+owing to more highly-optimized integral contraction kernels; and supports execution
+on Graphics Processing Units (GPUs). See <a class="reference internal" href="#sec-scfsnlink"><span class="std std-ref">Seminumerical Linear Exchange</span></a> for more information.</p>
+</dd>
 </dl>
 <p>In some cases the above algorithms have multiple implementations that return
 the same result, but are optimal under different molecules sizes and hardware
@@ -819,10 +826,10 @@ <h3>Navigation</h3>
 <div class="math notranslate nohighlight">
 \[(PQ|RS) &lt;= \sqrt{(PQ|PQ)(RS|RS)}\]</div>
 <dl class="simple">
-<dt>CSAM</dt><dd><p>An extension of the Schwarz estimate that also screens over the long range 1/r operator, described in <a class="reference internal" href="bibliography.html#thompson-2017-144101" id="id20"><span>[Thompson:2017:144101]</span></a>.</p>
+<dt>CSAM</dt><dd><p>An extension of the Schwarz estimate that also screens over the long range 1/r operator, described in <a class="reference internal" href="bibliography.html#thompson-2017-144101" id="id22"><span>[Thompson:2017:144101]</span></a>.</p>
 </dd>
 <dt>DENSITY</dt><dd><p>An extension of the Schwarz estimate that also screens over elements of the density matrix.
-For the RHF case, described in <a class="reference internal" href="bibliography.html#haser-1989-104" id="id21"><span>[Haser:1989:104]</span></a></p>
+For the RHF case, described in <a class="reference internal" href="bibliography.html#haser-1989-104" id="id23"><span>[Haser:1989:104]</span></a></p>
 </dd>
 </dl>
 <div class="math notranslate nohighlight">
@@ -830,7 +837,7 @@ <h3>Navigation</h3>
 <div class="math notranslate nohighlight">
 \[DCON(PQ, RS) = max(4D_{PQ}, 4D_{RS}, D_{PR}, D_{PS}, D_{QR}, D_{QS})\]</div>
 <p>When using density-matrix based integral screening, it is useful to build the J and K matrices
-incrementally, also described in <a class="reference internal" href="bibliography.html#haser-1989-104" id="id22"><span>[Haser:1989:104]</span></a>, using the difference in the density matrix between iterations, rather than the
+incrementally, also described in <a class="reference internal" href="bibliography.html#haser-1989-104" id="id24"><span>[Haser:1989:104]</span></a>, using the difference in the density matrix between iterations, rather than the
 full density matrix. To turn on this option, set <a class="reference internal" href="autodoc_glossary_options_c.html#term-INCFOCK-SCF"><span class="xref std std-term">INCFOCK</span></a> to <code class="docutils literal notranslate"><span class="pre">true</span></code>.</p>
 <p>We have added the automatic capability to use the extremely fast DF
 code for intermediate convergence of the orbitals, for <a class="reference internal" href="autodoc_glossary_options_c.html#term-SCF_TYPE-GLOBALS"><span class="xref std std-term">SCF_TYPE</span></a>
@@ -849,7 +856,7 @@ <h3>Navigation</h3>
 SCF calculations. The reduction in ERI tensor rank also makes DF an appealing option for conventional SCF calculations, where the ERIs are stored
 in core or on disk. However, even when using DF, I/O becomes a significant bottleneck for systems of a sufficient size when performing conventional SCF
 calculations. In principle, though, DF approaches can be utilized in an integral-direct context, gaining the benefits of DF methods without suffering the
-I/O bottlenecks that conventional DF methods will eventually run into. One such approach, outlined by Weigend in <a class="reference internal" href="bibliography.html#weigend-2002-4285" id="id23"><span>[Weigend:2002:4285]</span></a>,
+I/O bottlenecks that conventional DF methods will eventually run into. One such approach, outlined by Weigend in <a class="reference internal" href="bibliography.html#weigend-2002-4285" id="id25"><span>[Weigend:2002:4285]</span></a>,
 is available for use in Psi4 for the separate construction of the Coulomb contribution to the Fock matrix.  This implementation can be used alongside
 Psi4’s separate Exchange construction algorithms for composite Fock matrix construction by using the keyword DFDIRJ as the Coulomb construction
 algorithm when specifying <a class="reference internal" href="autodoc_glossary_options_c.html#term-SCF_TYPE-GLOBALS"><span class="xref std std-term">SCF_TYPE</span></a> to use a composite algorithm combination (<code class="docutils literal notranslate"><span class="pre">DFDIRJ+K_alg</span></code> in general,
@@ -860,7 +867,7 @@ <h3>Navigation</h3>
 </section>
 <section id="cosx-exchange">
 <span id="sec-scfcosx"></span><h2>COSX Exchange<a class="headerlink" href="#cosx-exchange" title="Link to this heading">¶</a></h2>
-<p>The semi-numerical COSX algorithm described in <a class="reference internal" href="bibliography.html#neese-2009-98" id="id24"><span>[Neese:2009:98]</span></a> evaluates
+<p>The semi-numerical COSX algorithm described in <a class="reference internal" href="bibliography.html#neese-2009-98" id="id26"><span>[Neese:2009:98]</span></a> evaluates
 two-electron ERIs analytically over one electron coordinate and numerically
 over the other electron coordinate, and belongs to the family of pseudospectral
 methods originally suggested by Friesner. In COSX, numerical integration is performed on standard
@@ -897,13 +904,13 @@ <h3>Navigation</h3>
 are more amenable to screening. This option is disabled by default because of
 potential SCF convergence issues, particularly when using diffuse basis functions.
 The <a class="reference internal" href="autodoc_glossary_options_c.html#term-COSX_OVERLAP_FITTING-SCF"><span class="xref std std-term">COSX_OVERLAP_FITTING</span></a> keyword (defaults to <code class="docutils literal notranslate"><span class="pre">true</span></code>) reduces numerical
-integration errors using the method described in <a class="reference internal" href="bibliography.html#izsak-2011-144105" id="id25"><span>[Izsak:2011:144105]</span></a> and is
+integration errors using the method described in <a class="reference internal" href="bibliography.html#izsak-2011-144105" id="id27"><span>[Izsak:2011:144105]</span></a> and is
 always recommended.</p>
 </section>
 <section id="linear-exchange">
 <span id="sec-scflink"></span><h2>Linear Exchange<a class="headerlink" href="#linear-exchange" title="Link to this heading">¶</a></h2>
 <p>Large SCF calculations can benefit from specialized screening procedures that further reduce the scaling of the ERI contribution to the Fock matrix.
-LinK, the linear-scaling exchange method described in <a class="reference internal" href="bibliography.html#ochsenfeld-1998-1663" id="id26"><span>[Ochsenfeld:1998:1663]</span></a>, is available in Psi4 in conjunction with composite algorithms that build J (<a class="reference internal" href="autodoc_glossary_options_c.html#term-SCF_TYPE-GLOBALS"><span class="xref std std-term">SCF_TYPE</span></a> set to <code class="docutils literal notranslate"><span class="pre">J_alg+LINK</span></code>).
+LinK, the linear-scaling exchange method described in <a class="reference internal" href="bibliography.html#ochsenfeld-1998-1663" id="id28"><span>[Ochsenfeld:1998:1663]</span></a>, is available in Psi4 in conjunction with composite algorithms that build J (<a class="reference internal" href="autodoc_glossary_options_c.html#term-SCF_TYPE-GLOBALS"><span class="xref std std-term">SCF_TYPE</span></a> set to <code class="docutils literal notranslate"><span class="pre">J_alg+LINK</span></code>).
 LinK achieves linear-scaling by exploiting shell pair sparsity in the density matrix and overlap sparsity between shell pairs. Specifically, LinK exploits the fact that the Exchange term
 requires only a linear-scaling number of significant elements through reformulating the
 shell quartet screening process to scale linearly with system size.
@@ -914,6 +921,46 @@ <h3>Navigation</h3>
 <div><p><a class="reference internal" href="autodoc_glossary_options_c.html#term-LINK_INTS_TOLERANCE-SCF"><span class="xref std std-term">LINK_INTS_TOLERANCE</span></a>: The integral screening tolerance used for sparsity-prep in the LinK algorithm. Defaults to the <a class="reference internal" href="autodoc_glossary_options_c.html#term-INTS_TOLERANCE-SCF"><span class="xref std std-term">INTS_TOLERANCE</span></a> option.</p>
 </div></blockquote>
 </section>
+<section id="seminumerical-linear-exchange">
+<span id="sec-scfsnlink"></span><h2>Seminumerical Linear Exchange<a class="headerlink" href="#seminumerical-linear-exchange" title="Link to this heading">¶</a></h2>
+<p>Similar to the COSX algorithm provided by <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>, the seminumerical Linear Exchange (sn-LinK) algorithm, devised
+by Ochsenfeld in <a class="reference internal" href="bibliography.html#laqua-2020-1456" id="id29"><span>[Laqua:2020:1456]</span></a>, improves efficiency of the K construction process by
+decomposing computation of the ERI tensor into a series of contractions involving grid-computed basis
+function components and analytic 3-center integrals. As a “semi-numerical” Exchange construction method,
+sn-LinK is also comparable to the pseudospectral method of Friesner.</p>
+<p>sn-LinK and COSX have a number of significant differences in implementation details in <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>, however.
+First and foremost, the COSX implementation is contained within <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span> itself, and is thus always available
+for execution. On the other hand, the sn-LinK implementation in <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span> is tied to the GauXC standalone
+library discussed in <a class="reference internal" href="bibliography.html#williams-young-2023-234104" id="id30"><span>[Williams-Young:2023:234104]</span></a>; thus, the <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>-GauXC interface must be built
+for sn-LinK to be used. Second, the GauXC sn-LinK interface is more
+efficient than the <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span> COSX code on multiple levels. For CPU execution, GauXC’s sn-LinK uses highly-optimized
+kernels for the contraction of the analytic integrals, whereas <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>’s COSX uses a less-optimized, more
+general contraction kernel. Additionally, GauXC’s sn-LinK code supports execution on GPUs, allowing for
+GPU-enabled construction of the Exchange matrix, while <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>’s COSX does not. In general,
+sn-LinK will provide better runtime performance for hitting a desired accuracy
+threshold compared to <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>’s COSX. Third, some low-level implementation details differ between the two.
+For example, <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>’s COSX uses a dual-grid scheme similar to that originally proposed by Neese,
+converging the SCF on a small grid, then running a number of SCF iterations,
+equal to the value set by the <a class="reference internal" href="autodoc_glossary_options_c.html#term-COSX_MAXITER_FINAL-SCF"><span class="xref std std-term">COSX_MAXITER_FINAL</span></a>, on a larger grid.
+In contrast, sn-LinK only uses a single-grid scheme, simply converging the SCF on one grid.
+As another example, while the COSX grid defaults are selected to emphasize speed over accuracy,
+the defaults for sn-LinK are selected to achieve higher accuracy (~0.1 kcal/mol error for interaction/conformer energies).</p>
+<p>To control compilation and linking of the optional GauXC dependency required for the sn-LinK algorithm,
+here are the list of compile-time options provided.</p>
+<ul class="simple">
+<li><p><strong class="makevar">ENABLE_gauxc</strong>: Compile Psi4 with support for GauXC.</p></li>
+<li><p><strong class="makevar">gauxc_DIR</strong>: Location of the external GauXC install to compile Psi4 with, if using an external GauXC instance.</p></li>
+<li><p><strong class="makevar">gauxc_ENABLE_GPU</strong>: Enable GPU support for the Psi4-GauXC interface class. When building GauXC internally within Psi4, this keyword controls whether to enable GPU support on the internally-built GauXC instance. When using an external GauXC build, this keyword must align with the GPU capabilities of the external GauXC install.</p></li>
+</ul>
+<p>To control the sn-LinK algorithm, here are the list of options provided.</p>
+<blockquote>
+<div><p><a class="reference internal" href="autodoc_glossary_options_c.html#term-SNLINK_RADIAL_POINTS-SCF"><span class="xref std std-term">SNLINK_RADIAL_POINTS</span></a>: Number of radial points to use for the sn-LinK grid. Defaults to 70.</p>
+<p><a class="reference internal" href="autodoc_glossary_options_c.html#term-SNLINK_SPHERICAL_POINTS-SCF"><span class="xref std std-term">SNLINK_SPHERICAL_POINTS</span></a>: Number of spherical points to use for the sn-LinK grid. Defaults to 302.</p>
+<p><a class="reference internal" href="autodoc_glossary_options_c.html#term-SNLINK_RADIAL_SCHEME-SCF"><span class="xref std std-term">SNLINK_RADIAL_SCHEME</span></a>: Radial quadrature scheme to use for the sn-LinK grid. Defaults to <code class="docutils literal notranslate"><span class="pre">MURA</span></code>. Note that, although different from the more common Psi4 radial quadrature scheme of <code class="docutils literal notranslate"><span class="pre">TREUTLER</span></code>, the default of <code class="docutils literal notranslate"><span class="pre">MURA</span></code> matches the default radial quadrature scheme used by GauXC.</p>
+<p><a class="reference internal" href="autodoc_glossary_options_c.html#term-SNLINK_INTS_TOLERANCE-SCF"><span class="xref std std-term">SNLINK_INTS_TOLERANCE</span></a>: The integral screening tolerance used in the sn-LinK algorithm. Defaults to the <a class="reference internal" href="autodoc_glossary_options_c.html#term-INTS_TOLERANCE-SCF"><span class="xref std std-term">INTS_TOLERANCE</span></a> option.</p>
+<p><a class="reference internal" href="autodoc_glossary_options_c.html#term-SNLINK_USE_GPU-SCF"><span class="xref std std-term">SNLINK_USE_GPU</span></a>: Select whether to execute the sn-LinK algorithm on GPU or not. Setting this option to <code class="docutils literal notranslate"><span class="pre">true</span></code> will fail unless the Psi4-GauXC interface is compiled with GPU support.</p>
+</div></blockquote>
+</section>
 <section id="second-order-convergence">
 <span id="sec-soscf"></span><span id="index-3"></span><h2>Second-order Convergence<a class="headerlink" href="#second-order-convergence" title="Link to this heading">¶</a></h2>
 <p>Second-order convergence takes into account both the gradient and Hessian to
@@ -996,8 +1043,8 @@ <h3>Navigation</h3>
 products are computed instead of the full Hessian. This algorithm is thus
 much more efficient than the Direct Inversion, but at present, it is only available for UHF <span class="math notranslate nohighlight">\(\rightarrow\)</span> UHF stability
 analysis. The capabilities of both algorithms are summarized below:</p>
-<span id="table-stab-methods"></span><table class="docutils align-default" id="id37">
-<caption><span class="caption-text">Stability analysis methods available in <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span></span><a class="headerlink" href="#id37" title="Link to this table">¶</a></caption>
+<span id="table-stab-methods"></span><table class="docutils align-default" id="id41">
+<caption><span class="caption-text">Stability analysis methods available in <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span></span><a class="headerlink" href="#id41" title="Link to this table">¶</a></caption>
 <thead>
 <tr class="row-odd"><th class="head"><p>Algorithm</p></th>
 <th class="head"><p><a class="reference internal" href="autodoc_glossary_options_c.html#term-REFERENCE-SCF"><span class="xref std std-term">REFERENCE</span></a></p></th>
@@ -1139,8 +1186,8 @@ <h3>Navigation</h3>
 </section>
 <section id="convergence-and-algorithm-defaults">
 <span id="sec-scfdefault"></span><h2>Convergence and Algorithm Defaults<a class="headerlink" href="#convergence-and-algorithm-defaults" title="Link to this heading">¶</a></h2>
-<span id="table-conv-scf"></span><table class="docutils align-default" id="id38">
-<caption><span class="caption-text">SCF algorithm and convergence criteria defaults by calculation type <a class="footnote-reference brackets" href="#f1" id="id27" role="doc-noteref"><span class="fn-bracket">[</span>1<span class="fn-bracket">]</span></a></span><a class="headerlink" href="#id38" title="Link to this table">¶</a></caption>
+<span id="table-conv-scf"></span><table class="docutils align-default" id="id42">
+<caption><span class="caption-text">SCF algorithm and convergence criteria defaults by calculation type <a class="footnote-reference brackets" href="#f1" id="id31" role="doc-noteref"><span class="fn-bracket">[</span>1<span class="fn-bracket">]</span></a></span><a class="headerlink" href="#id42" title="Link to this table">¶</a></caption>
 <thead>
 <tr class="row-odd"><th class="head"><p><em>Ab Initio</em> Method</p></th>
 <th class="head"><p>Calculation Type</p></th>
@@ -1160,7 +1207,7 @@ <h3>Navigation</h3>
 <td><p>8</p></td>
 <td><p>8</p></td>
 </tr>
-<tr class="row-even"><td><p>frequency <a class="footnote-reference brackets" href="#f7" id="id28" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>frequency <a class="footnote-reference brackets" href="#f7" id="id32" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
 <td><p>8</p></td>
 <td><p>8</p></td>
 </tr>
@@ -1168,29 +1215,29 @@ <h3>Navigation</h3>
 <td><p>energy</p></td>
 <td><p>8</p></td>
 <td><p>8</p></td>
-<td rowspan="4"><p>PK <a class="footnote-reference brackets" href="#f3" id="id29" role="doc-noteref"><span class="fn-bracket">[</span>3<span class="fn-bracket">]</span></a></p></td>
+<td rowspan="4"><p>PK <a class="footnote-reference brackets" href="#f3" id="id33" role="doc-noteref"><span class="fn-bracket">[</span>3<span class="fn-bracket">]</span></a></p></td>
 </tr>
 <tr class="row-even"><td><p>optimization</p></td>
 <td><p>10</p></td>
 <td><p>10</p></td>
 </tr>
-<tr class="row-odd"><td><p>frequency <a class="footnote-reference brackets" href="#f7" id="id30" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-odd"><td><p>frequency <a class="footnote-reference brackets" href="#f7" id="id34" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
 <td><p>10</p></td>
 <td><p>10</p></td>
 </tr>
-<tr class="row-even"><td><p>CC property <a class="footnote-reference brackets" href="#f2" id="id31" role="doc-noteref"><span class="fn-bracket">[</span>2<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>CC property <a class="footnote-reference brackets" href="#f2" id="id35" role="doc-noteref"><span class="fn-bracket">[</span>2<span class="fn-bracket">]</span></a></p></td>
 <td><p>10</p></td>
 <td><p>10</p></td>
 </tr>
 </tbody>
 </table>
-<span id="table-conv-corl"></span><table class="docutils align-default" id="id39">
-<caption><span class="caption-text">Post-SCF convergence criteria defaults by calculation type <a class="footnote-reference brackets" href="#f4" id="id32" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></span><a class="headerlink" href="#id39" title="Link to this table">¶</a></caption>
+<span id="table-conv-corl"></span><table class="docutils align-default" id="id43">
+<caption><span class="caption-text">Post-SCF convergence criteria defaults by calculation type <a class="footnote-reference brackets" href="#f4" id="id36" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></span><a class="headerlink" href="#id43" title="Link to this table">¶</a></caption>
 <thead>
 <tr class="row-odd"><th class="head"><p><em>Ab Initio</em> Method</p></th>
 <th class="head"><p>Calculation Type</p></th>
-<th class="head"><p>E_CONVERGENCE <a class="footnote-reference brackets" href="#f5" id="id33" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a></p></th>
-<th class="head"><p>R_CONVERGENCE <a class="footnote-reference brackets" href="#f6" id="id34" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></th>
+<th class="head"><p>E_CONVERGENCE <a class="footnote-reference brackets" href="#f5" id="id37" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a></p></th>
+<th class="head"><p>R_CONVERGENCE <a class="footnote-reference brackets" href="#f6" id="id38" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></th>
 </tr>
 </thead>
 <tbody>
@@ -1203,11 +1250,11 @@ <h3>Navigation</h3>
 <td><p>8</p></td>
 <td></td>
 </tr>
-<tr class="row-even"><td><p>frequency <a class="footnote-reference brackets" href="#f7" id="id35" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>frequency <a class="footnote-reference brackets" href="#f7" id="id39" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
 <td><p>8</p></td>
 <td></td>
 </tr>
-<tr class="row-odd"><td><p>CC property <a class="footnote-reference brackets" href="#f2" id="id36" role="doc-noteref"><span class="fn-bracket">[</span>2<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-odd"><td><p>CC property <a class="footnote-reference brackets" href="#f2" id="id40" role="doc-noteref"><span class="fn-bracket">[</span>2<span class="fn-bracket">]</span></a></p></td>
 <td><p>8</p></td>
 <td></td>
 </tr>
@@ -1216,7 +1263,7 @@ <h3>Navigation</h3>
 <p class="rubric">Footnotes</p>
 <aside class="footnote-list brackets">
 <aside class="footnote brackets" id="f1" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id27">1</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id31">1</a><span class="fn-bracket">]</span></span>
 <p>Note that this table applies only the SCF module,
 not to the final convergence criteria for post-HF methods or to methods
 that use an alternate starting point, like MCSCF. SAPT computations, too,
@@ -1224,26 +1271,26 @@ <h3>Navigation</h3>
 </aside>
 <aside class="footnote brackets" id="f2" role="doc-footnote">
 <span class="label"><span class="fn-bracket">[</span>2<span class="fn-bracket">]</span></span>
-<span class="backrefs">(<a role="doc-backlink" href="#id31">1</a>,<a role="doc-backlink" href="#id36">2</a>)</span>
+<span class="backrefs">(<a role="doc-backlink" href="#id35">1</a>,<a role="doc-backlink" href="#id40">2</a>)</span>
 <p>This applies to properties computed through the <a class="reference internal" href="api/psi4.driver.properties.html#psi4.driver.properties" title="psi4.driver.properties"><code class="xref py py-func docutils literal notranslate"><span class="pre">properties()</span></code></a> function.</p>
 </aside>
 <aside class="footnote brackets" id="f3" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id29">3</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id33">3</a><span class="fn-bracket">]</span></span>
 <p>Post-HF methods that do not rely upon the usual 4-index AO integrals use a
 density-fitted SCF reference. That is, for DF-MP2 and SAPT, the default <a class="reference internal" href="autodoc_glossary_options_c.html#term-SCF_TYPE-GLOBALS"><span class="xref std std-term">SCF_TYPE</span></a> is DF.</p>
 </aside>
 <aside class="footnote brackets" id="f4" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id32">4</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id36">4</a><span class="fn-bracket">]</span></span>
 <p>Note that this table applies to the final convergence criteria for
 all the post-SCF modules that define a <a class="reference internal" href="autodoc_glossary_options_c.html#term-E_CONVERGENCE-CCENERGY"><span class="xref std std-term">E_CONVERGENCE</span></a> keyword.</p>
 </aside>
 <aside class="footnote brackets" id="f5" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id33">5</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id37">5</a><span class="fn-bracket">]</span></span>
 <p>The E_CONVERGENCE keyword is implemented for most post-SCF modules.
 See a list beginning at <a class="reference internal" href="autodoc_glossary_options_c.html#term-E_CONVERGENCE-CCENERGY"><span class="xref std std-term">E_CONVERGENCE</span></a>.</p>
 </aside>
 <aside class="footnote brackets" id="f6" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id34">6</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id38">6</a><span class="fn-bracket">]</span></span>
 <p>The R_CONVERGENCE keyword places a convergence check on an internal
 residual error measure and is implemented for several post-SCF
 modules (see list beginning at <a class="reference internal" href="autodoc_glossary_options_c.html#term-R_CONVERGENCE-CCENERGY"><span class="xref std std-term">R_CONVERGENCE</span></a>). It is defined
@@ -1252,7 +1299,7 @@ <h3>Navigation</h3>
 </aside>
 <aside class="footnote brackets" id="f7" role="doc-footnote">
 <span class="label"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></span>
-<span class="backrefs">(<a role="doc-backlink" href="#id28">1</a>,<a role="doc-backlink" href="#id30">2</a>,<a role="doc-backlink" href="#id35">3</a>)</span>
+<span class="backrefs">(<a role="doc-backlink" href="#id32">1</a>,<a role="doc-backlink" href="#id34">2</a>,<a role="doc-backlink" href="#id39">3</a>)</span>
 <p>For frequency computations by finite difference of energies,
 convergence criteria are tightened further still to 10 for
 <a class="reference internal" href="autodoc_glossary_options_c.html#term-E_CONVERGENCE-SCF"><span class="xref std std-term">E_CONVERGENCE</span></a> and <a class="reference internal" href="autodoc_glossary_options_c.html#term-D_CONVERGENCE-SCF"><span class="xref std std-term">D_CONVERGENCE</span></a> for SCF of HF or DFT, 11
@@ -1342,6 +1389,7 @@ <h3><a href="index.html">table of contents</a></h3>
 <li><a class="reference internal" href="#integral-direct-density-fitted-coulomb-construction">Integral-Direct Density-Fitted Coulomb Construction</a></li>
 <li><a class="reference internal" href="#cosx-exchange">COSX Exchange</a></li>
 <li><a class="reference internal" href="#linear-exchange">Linear Exchange</a></li>
+<li><a class="reference internal" href="#seminumerical-linear-exchange">Seminumerical Linear Exchange</a></li>
 <li><a class="reference internal" href="#second-order-convergence">Second-order Convergence</a></li>
 <li><a class="reference internal" href="#stability-analysis">Stability Analysis</a></li>
 <li><a class="reference internal" href="#effective-core-potentials-ecps">Effective core potentials (ECPs)</a></li>
@@ -1399,7 +1447,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/scf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1413,7 +1461,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/search.html b/sphinxman/master/search.html
index dbaa3a10811..f2151621598 100644
--- a/sphinxman/master/search.html
+++ b/sphinxman/master/search.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
     
-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -99,7 +99,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -193,7 +193,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/searchindex.js b/sphinxman/master/searchindex.js
index 513bb2d190d..b0019c05e7e 100644
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+++ b/sphinxman/master/searchindex.js
@@ -1 +1 @@
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"CPHF": [[1207, null]], "CPHF_MEM_SAFETY_FACTOR": [[714, null], [1207, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1029, null], [1218, "cphf-r-convergence"], [1230, "cphf-r-convergence"], [1442, null], [1820, "cphf-r-convergence"]], "CPHF_TASKS": [[715, null], [1207, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1108, null], [1221, "cubeprop-basis-functions"], [1733, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1109, null], [1221, "cubeprop-filepath"], [1733, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1110, null], [1221, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1111, null], [1221, "cubeprop-orbitals"], [1733, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1112, null], [1221, "cubeprop-tasks"], [1733, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1030, null], [1113, null], [1218, "cubic-basis-tolerance"], [1221, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": 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details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1722, "id18"]], "CdSalc": [[15, null]], "CdSalcList": [[16, null]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1726, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1800, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1820, "charge-transfer-in-sapt"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1764, "citing-psifour"]], "Class Inheritance Diagram": [[1810, "class-inheritance-diagram"], [1810, "id3"], [1810, "id6"]], "Classes": [[1810, "classes"], [1810, "id2"], [1810, "id5"]], "Clone from GitHub Repository": [[1720, "clone-from-github-repository"]], "Code style conventions": [[1730, null]], "Collect documentation snapshot": [[1771, "collect-documentation-snapshot"]], "Collect new authors": [[1771, "collect-new-authors"]], "Command Line Options": [[1750, "command-line-options"]], "Comments": [[1787, "comments"]], "Community Code of Conduct": [[1794, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1721, null]], "Complete Basis Set": [[1723, null]], "Completely new methods": [[1806, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1820, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1731, null]], "Conda Binary Package": [[1720, "conda-binary-package"]], "Configuration Interaction (CI)": [[1764, "configuration-interaction-ci"]], "Configuring and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Binary": [[1719, "configuring-and-installing-psifour-via-binary"]], "Configuring, Building, and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Source": [[1719, "configuring-building-and-installing-psifour-via-source"]], "Constrained Optimizations": [[1785, "constrained-optimizations"]], "Contents:": [[1760, null]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1781, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Control": [[1226, "convergence-control"]], "Convergence Control/Stabilization": [[1231, "convergence-control-stabilization"]], "Convergence Criteria": [[1785, "convergence-criteria"]], "Convergence Problems": [[1781, "convergence-problems"]], "Convergence Stabilization": [[1821, "convergence-stabilization"]], "Convergence and Algorithm Defaults": [[1821, "convergence-and-algorithm-defaults"]], "ConvergenceError": [[266, null]], "Coordinates": [[1816, "coordinates"]], "CorrelationFactor": [[19, null]], "CorrelationTable": [[20, null]], "Coupled Cluster (CC)": [[1764, "coupled-cluster-cc"]], "Coupled electron pair approximation": [[1754, "coupled-electron-pair-approximation"]], "Creating New Plugins": [[1791, null]], "Creating a Database": [[1818, null]], "Creating a New Plugin": [[1791, "creating-a-new-plugin"]], "Creating a New Plugin Using a Conda Pre-compiled Binary": [[1791, "creating-a-new-plugin-using-a-conda-pre-compiled-binary"]], "Cube File Visualization with PyMol": [[1753, "cube-file-visualization-with-pymol"]], "CubeProperties": [[21, null]], "Cubeprop Tasks": [[1733, "cubeprop-tasks"]], "Current coupled cluster capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1725, "id14"]], "Current one-electron property capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1782, "id2"]], "Customization: Adding Simple Extensions": [[1734, null]], "DAMPING_CONVERGENCE": [[1231, "damping-convergence"], [1498, null]], "DAMPING_FACTOR_INDUCED": [[1228, "damping-factor-induced"], [1387, null]], "DAMPING_FACTOR_MULTIPOLE": [[1228, "damping-factor-multipole"], [1388, null]], "DAMPING_PERCENTAGE": [[729, null], [1208, "damping-percentage"], [1229, "damping-percentage"], [1231, "damping-percentage"], [1405, null], [1499, null]], "DAMP_INDUCED": [[1228, "damp-induced"], [1385, null]], "DAMP_MULTIPOLE": [[1228, "damp-multipole"], [1386, null]], "DASUM": [[22, null]], "DAXPY": [[23, null]], "DCOPY": [[24, null]], "DCT": [[1208, null], [1654, null]], "DCT: Density Cumulant Theory": [[1736, null]], "DCT_FUNCTIONAL": [[730, null], [1208, "dct-functional"]], "DCT_GUESS": [[731, null], [1208, "dct-guess"]], "DCT_TYPE": [[732, null], [1208, "dct-type"]], "DDOT": [[25, null]], "DDX": [[1117, null], [1209, null], 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"how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1769, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1769, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1769, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1721, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1769, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1769, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1729, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1721, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1721, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1721, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1721, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1721, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1730, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1730, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1731, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1731, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1731, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1721, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1768, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1769, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1768, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1793, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1793, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1793, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1721, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1720, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1721, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1721, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1721, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1721, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1721, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1721, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1721, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1721, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1730, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1721, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1721, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1721, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1721, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1721, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1721, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1721, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1721, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1731, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1721, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1721, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1721, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1768, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1731, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1721, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1721, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1721, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1793, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1741, "hybrid"]], "Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1683, null], [1741, "id5"]], "I-SAPT: A Representative Example": [[1753, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1811, "I.-Basic-Input-Structure"]], "ICORE": [[837, null], [1210, "icore"], [1738, "icore"]], "IDAMAX": [[85, null]], "II. Running a Basic Hartree-Fock Calculation": [[1811, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1811, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1231, "incfock"], [1566, null]], "INCFOCK_CONVERGENCE": [[1231, "incfock-convergence"], [1567, null]], "INCFOCK_FULL_FOCK_EVERY": [[1231, "incfock-full-fock-every"], [1568, null]], "INDUCED_CONVERGENCE": [[1228, "induced-convergence"], [1389, null], [1732, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1226, "intcos-generate-exit"], [1334, null]], "INTEGRAL_CUTOFF": [[927, null], [1213, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1129, null], [1221, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1226, "interfragment-connect"], [1341, null]], "INTERFRAG_COLLINEAR_TOL": [[1226, "interfrag-collinear-tol"], [1335, null]], "INTERFRAG_COORDS": [[1226, "interfrag-coords"], [1336, null]], "INTERFRAG_DIST_INV": [[1226, "interfrag-dist-inv"], [1337, null]], "INTERFRAG_HESS": [[1226, "interfrag-hess"], [1338, null]], "INTERFRAG_MODE": [[1226, "interfrag-mode"], [1339, null]], "INTERFRAG_STEP_LIMIT": [[1226, "interfrag-step-limit"], [1340, null]], "INTERNAL_ROTATIONS": [[1183, null], [1222, "internal-rotations"]], "INTRAFRAG_HESS": [[1226, "intrafrag-hess"], [1342, null]], "INTRAFRAG_STEP_LIMIT": [[1226, "intrafrag-step-limit"], [1343, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1226, "intrafrag-step-limit-max"], [1344, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1226, "intrafrag-step-limit-min"], [1345, null]], "INTS_TOLERANCE": [[415, null], [740, null], [905, null], [1053, null], [1198, "ints-tolerance"], [1208, "ints-tolerance"], [1212, "ints-tolerance"], [1218, "ints-tolerance"], [1224, "ints-tolerance"], [1230, "ints-tolerance"], [1231, "ints-tolerance"], [1234, null], [1455, null], [1569, null], [1820, "ints-tolerance"], [1820, "id26"]], "IO": [[86, null]], "IOManager": [[87, null]], "IP Fitting": [[1740, "ip-fitting"]], "IP_POLES": [[1225, "ip-poles"], [1264, null]], "IRC_DIRECTION": [[1226, "irc-direction"], [1346, null]], "IRC_POINTS": [[1226, "irc-points"], [1347, null]], "IRC_STEP_SIZE": [[1226, "irc-step-size"], [1348, null]], "ISOTROPIC_POL": [[1228, "isotropic-pol"], [1390, null], [1732, "isotropic-pol"]], "ISTOP": [[838, null], [1210, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1811, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1793, "important-blas-routines"]], "Important Lapack Routines": [[1793, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1785, "important-user-changes-from-cpp-optking"]], "InPsight": [[323, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1807, "incorporating-code-into-psifour"]], "Initial Guess": [[1821, "initial-guess"]], "Initialize release branch": [[1771, "initialize-release-branch"]], "Input": [[1745, "input"], [1758, "input"]], "Inputting effective core potentials (ECPs)": [[1713, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1726, "installation"], [1729, "installation"], [1732, "installation"], [1737, "installation"], [1742, "installation"], [1745, "installation"], [1748, "installation"], [1756, "installation"], [1757, "installation"], [1758, "installation"], [1765, "installation"], [1766, "installation"], [1767, "installation"], [1775, "installation"], [1786, "installation"], [1788, "installation"], [1789, "installation"], [1790, "installation"], [1822, "installation"]], "Installation and Runtime Configuration": [[1750, null]], "Installing BrianQC": [[1718, "installing-brianqc"]], "Installing Sphinx": [[1747, "installing-sphinx"]], "Instantiating integral objects": [[1800, "instantiating-integral-objects"]], "IntVector": [[88, null]], "Integral consuming technologies": [[1806, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1821, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[89, null]], "IntegralTransform": [[90, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1800, null]], "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1798, null]], "Interface Details": [[1775, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1726, null]], "Interface to CPPE by M. Scheurer": [[1732, null]], "Interface to CheMPS2 by S. Wouters": [[1729, null]], "Interface to DFTD3 by S. Grimme": [[1742, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1745, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1758, null]], "Interface to GeomeTRIC": [[1785, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1765, null]], "Interface to LibECPInt by R. Shaw": [[1748, null]], "Interface to Libint by E. Valeev": [[1766, null]], "Interface to Libxc by M. A. L. Marques": [[1767, null]], "Interface to MRCC by M. K\u00e1llay": [[1775, null]], "Interface to Molden \u2014 molden()": [[1774, null]], "Interface to NumPy": [[1780, null]], "Interface to PCMSolver by R. Di Remigio": [[1786, null]], "Interface to SIMINT by B. Pritchard": [[1822, null]], "Interface to adcc": [[0, "interface-to-adcc"]], "Interface to adcc by M. F. Herbst and M. Scheurer": [[1, null]], "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst": [[1737, null]], "Interface to gCP by S. Grimme": [[1757, null]], "Interface to gau2grid by D. G. A. Smith": [[1756, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1752, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1718, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1763, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1797, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1820, "interpreting-sapt-results"]], "Introduction": [[1733, "introduction"], [1739, "introduction"], [1746, "introduction"], [1764, null], [1781, "introduction"], [1800, "introduction"], [1821, "introduction"], [1824, "introduction"]], "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1801, null]], "IrreducibleRepresentation": 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none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1684, null], [1741, "id4"]], "Loops": [[1815, "loops"]], "Lorentzian": [[325, null]], "MADMP2_SLEEP": [[906, null], [1212, "madmp2-sleep"]], "MAT_NUM_COLUMN_PRINT": [[1138, null], [1221, "mat-num-column-print"]], "MAXITER": [[1, "maxiter"], [405, null], [447, null], [485, null], [524, null], [548, null], [741, null], [1062, null], [1080, null], [1185, null], [1197, "maxiter"], [1199, "maxiter"], [1200, "maxiter"], [1202, "maxiter"], [1203, "maxiter"], [1208, "maxiter"], [1218, "maxiter"], [1219, "maxiter"], [1222, "maxiter"], [1228, "maxiter"], [1229, "maxiter"], [1230, "maxiter"], [1231, "maxiter"], [1391, null], [1416, null], [1457, null], [1577, null], [1725, "maxiter"], [1732, "maxiter"], [1754, "maxiter"], [1820, "maxiter"]], "MAX_ATTEMPTS": [[1231, "max-attempts"], [1575, null]], "MAX_CCD_DIISVECS": [[1230, "max-ccd-diisvecs"], [1456, null]], "MAX_DISP_G_CONVERGENCE": [[1226, "max-disp-g-convergence"], [1349, null]], 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"autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__custom_coords", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_all_dihedrals", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__unfreeze_dihedrals", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", "autodir_options_c/scf__cosx_spherical_points_final", "autodir_options_c/scf__cosx_spherical_points_initial", "autodir_options_c/scf__d_convergence", "autodir_options_c/scf__damping_convergence", "autodir_options_c/scf__damping_percentage", "autodir_options_c/scf__df_basis_guess", "autodir_options_c/scf__df_basis_sad", "autodir_options_c/scf__df_basis_scf", "autodir_options_c/scf__df_bump_r0", "autodir_options_c/scf__df_bump_r1", "autodir_options_c/scf__df_domains", "autodir_options_c/scf__df_fitting_condition", "autodir_options_c/scf__df_ints_io", "autodir_options_c/scf__df_ints_num_threads", "autodir_options_c/scf__df_metric", "autodir_options_c/scf__df_scf_guess", "autodir_options_c/scf__df_theta", "autodir_options_c/scf__dft_alpha", "autodir_options_c/scf__dft_alpha_c", "autodir_options_c/scf__dft_basis_tolerance", "autodir_options_c/scf__dft_block_max_points", "autodir_options_c/scf__dft_block_max_radius", "autodir_options_c/scf__dft_block_min_points", "autodir_options_c/scf__dft_block_scheme", "autodir_options_c/scf__dft_bs_radius_alpha", "autodir_options_c/scf__dft_density_tolerance", "autodir_options_c/scf__dft_dispersion_parameters", "autodir_options_c/scf__dft_grac_alpha", "autodir_options_c/scf__dft_grac_beta", "autodir_options_c/scf__dft_grac_c_func", "autodir_options_c/scf__dft_grac_shift", "autodir_options_c/scf__dft_grac_x_func", "autodir_options_c/scf__dft_grid_name", "autodir_options_c/scf__dft_nuclear_scheme", "autodir_options_c/scf__dft_omega", "autodir_options_c/scf__dft_omega_c", "autodir_options_c/scf__dft_pruning_alpha", "autodir_options_c/scf__dft_pruning_scheme", "autodir_options_c/scf__dft_radial_points", "autodir_options_c/scf__dft_radial_scheme", "autodir_options_c/scf__dft_remove_distant_points", "autodir_options_c/scf__dft_spherical_points", "autodir_options_c/scf__dft_spherical_scheme", "autodir_options_c/scf__dft_v2_rho_cutoff", "autodir_options_c/scf__dft_vv10_b", "autodir_options_c/scf__dft_vv10_c", "autodir_options_c/scf__dft_vv10_postscf", "autodir_options_c/scf__dft_vv10_radial_points", "autodir_options_c/scf__dft_vv10_rho_cutoff", "autodir_options_c/scf__dft_vv10_spherical_points", "autodir_options_c/scf__dft_weights_tolerance", "autodir_options_c/scf__diis", "autodir_options_c/scf__diis_max_vecs", "autodir_options_c/scf__diis_min_vecs", "autodir_options_c/scf__diis_rms_error", "autodir_options_c/scf__diis_start", "autodir_options_c/scf__distributed_matrix", "autodir_options_c/scf__e_convergence", "autodir_options_c/scf__extern", "autodir_options_c/scf__fail_on_maxiter", "autodir_options_c/scf__follow_step_increment", "autodir_options_c/scf__follow_step_scale", "autodir_options_c/scf__frac_diis", "autodir_options_c/scf__frac_load", "autodir_options_c/scf__frac_occ", "autodir_options_c/scf__frac_renormalize", "autodir_options_c/scf__frac_start", "autodir_options_c/scf__frac_val", "autodir_options_c/scf__guess", "autodir_options_c/scf__guess_mix", "autodir_options_c/scf__guess_persist", "autodir_options_c/scf__incfock", "autodir_options_c/scf__incfock_convergence", "autodir_options_c/scf__incfock_full_fock_every", "autodir_options_c/scf__ints_tolerance", "autodir_options_c/scf__level_shift", "autodir_options_c/scf__level_shift_cutoff", "autodir_options_c/scf__link_ints_tolerance", "autodir_options_c/scf__local_convergence", "autodir_options_c/scf__local_maxiter", "autodir_options_c/scf__max_attempts", "autodir_options_c/scf__max_mem_buf", "autodir_options_c/scf__maxiter", "autodir_options_c/scf__molden_write", "autodir_options_c/scf__mom_occ", "autodir_options_c/scf__mom_start", "autodir_options_c/scf__mom_vir", "autodir_options_c/scf__nl_dispersion_parameters", "autodir_options_c/scf__onepot_grid_read", "autodir_options_c/scf__orbitals_write", "autodir_options_c/scf__parallel", "autodir_options_c/scf__perturb_dipole", "autodir_options_c/scf__perturb_h", "autodir_options_c/scf__perturb_magnitude", "autodir_options_c/scf__perturb_with", "autodir_options_c/scf__phi_points", "autodir_options_c/scf__pk_all_nonsym", "autodir_options_c/scf__pk_max_buckets", "autodir_options_c/scf__print_basis", "autodir_options_c/scf__print_mos", "autodir_options_c/scf__process_grid", "autodir_options_c/scf__qchf", "autodir_options_c/scf__r_points", "autodir_options_c/scf__radius", "autodir_options_c/scf__reference", "autodir_options_c/scf__s_cholesky_tolerance", "autodir_options_c/scf__s_orthogonalization", "autodir_options_c/scf__s_tolerance", "autodir_options_c/scf__sad_chol_tolerance", "autodir_options_c/scf__sad_d_convergence", "autodir_options_c/scf__sad_e_convergence", "autodir_options_c/scf__sad_frac_occ", "autodir_options_c/scf__sad_maxiter", "autodir_options_c/scf__sad_print", "autodir_options_c/scf__sad_scf_type", "autodir_options_c/scf__sad_spin_average", "autodir_options_c/scf__sapgau_basis", "autodir_options_c/scf__sapt", "autodir_options_c/scf__save_jk", "autodir_options_c/scf__save_uhf_nos", "autodir_options_c/scf__scf_initial_accelerator", "autodir_options_c/scf__scf_initial_finish_diis_transition", "autodir_options_c/scf__scf_initial_start_diis_transition", "autodir_options_c/scf__scf_mem_safety_factor", "autodir_options_c/scf__scf_properties", "autodir_options_c/scf__scf_subtype", "autodir_options_c/scf__solver_convergence", "autodir_options_c/scf__solver_maxiter", "autodir_options_c/scf__solver_n_guess", "autodir_options_c/scf__solver_n_root", "autodir_options_c/scf__solver_roots_per_irrep", "autodir_options_c/scf__soscf", "autodir_options_c/scf__soscf_conv", "autodir_options_c/scf__soscf_max_iter", "autodir_options_c/scf__soscf_min_iter", "autodir_options_c/scf__soscf_print", "autodir_options_c/scf__soscf_start_convergence", "autodir_options_c/scf__stability_analysis", "autodir_options_c/scf__tdscf_coeff_cutoff", "autodir_options_c/scf__tdscf_guess", "autodir_options_c/scf__tdscf_maxiter", "autodir_options_c/scf__tdscf_print", "autodir_options_c/scf__tdscf_r_convergence", "autodir_options_c/scf__tdscf_states", "autodir_options_c/scf__tdscf_tda", "autodir_options_c/scf__tdscf_tdm_print", "autodir_options_c/scf__tdscf_triplets", "autodir_options_c/scf__theta_points", "autodir_options_c/scf__thickness", "autodir_options_c/scf__tile_sz", "autodir_options_c/scf__uhf_noons", "autodir_options_c/scf__wcombine", "autodir_options_c/scf__wfn", "autodir_options_c/thermo__p", "autodir_options_c/thermo__rotational_symmetry_number", "autodir_options_c/thermo__t", "autodir_psivariables/module__adc", "autodir_psivariables/module__ccenergy", "autodir_psivariables/module__cfour", "autodir_psivariables/module__dct", "autodir_psivariables/module__ddx", "autodir_psivariables/module__detci", "autodir_psivariables/module__dfmp2", "autodir_psivariables/module__dfocc", 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"psivar-ADC-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "adc root 0 (h) -> root n (i) oscillator strength (vel)": [[1759, "psivar-ADC-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "adc root 0 (h) -> root n (i) rotatory strength (vel)": [[1759, "psivar-ADC-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "adc root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1759, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "adc root 0 (in h) -> root n (in i) excitation energy": [[1759, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", false]], "adc root 0 (in h) -> root n (in i) oscillator strength (len)": [[1759, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "adc root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1759, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", false]], "adc root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1759, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "adc root 0 -> root n electric transition dipole moment (len)": [[1759, "psivar-ADC-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "adc root 0 -> root n electric transition dipole moment (len) - h transition": [[1759, "psivar-ADC-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", false]], "adc root 0 -> root n excitation energy": [[1759, "psivar-ADC-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "adc root 0 -> root n excitation energy - h transition": [[1759, "psivar-ADC-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "adc root 0 -> root n oscillator strength (len)": [[1759, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "adc root 0 -> root n oscillator strength (len) - h transition": [[1759, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "adc root 0 -> root n oscillator strength (vel)": [[1759, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "adc root 0 -> root n oscillator strength (vel) - h transition": [[1759, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "adc root 0 -> root n rotatory strength (vel)": [[1759, "psivar-ADC-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "adc root 0 -> root n rotatory strength (vel) - h transition": [[1759, "psivar-ADC-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "adcc": [[1, "index-0", false]], "add() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.add", false]], "add() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.add", false]], "add() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.add", false]], "add() (psi4.core.vector method)": [[148, "psi4.core.Vector.add", false]], "add() (psi4.driver.p4util.diis method)": [[321, "psi4.driver.p4util.DIIS.add", false]], "add_and_orthogonalize_row() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.add_and_orthogonalize_row", false]], "add_array() (psi4.core.options method)": [[114, "psi4.core.Options.add_array", false]], "add_atom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.add_atom", false]], "add_auxiliary_bonds (optking)": [[1687, "term-ADD_AUXILIARY_BONDS-OPTKING", true]], "add_bool() (psi4.core.options method)": [[114, "psi4.core.Options.add_bool", false]], "add_c_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.add_c_functional", false]], "add_int() (psi4.core.options method)": [[114, "psi4.core.Options.add_int", false]], "add_option() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.add_option", false]], "add_space() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.add_space", false]], "add_str() (psi4.core.options method)": [[114, "psi4.core.Options.add_str", false]], "add_str_i() (psi4.core.options method)": [[114, "psi4.core.Options.add_str_i", false]], "add_transformation() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.add_transformation", false]], "add_x_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.add_x_functional", false]], "addbasis() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.addBasis", false]], "addcharge() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.addCharge", false]], "addchargeangstrom() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeAngstrom", false]], "addchargebohr() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeBohr", false]], "adddiffuse() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addDiffuse", false]], "adding new": [[1713, "index-3", false], [1765, "index-1", false], [1817, "index-0", false], [1818, "index-0", false]], "advanced-keywords": [[1754, "index-3", false]], "aindex() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.aIndex", false]], "aio_cphf (sapt)": [[1687, "term-AIO_CPHF-SAPT", true]], "aio_df_ints (sapt)": [[1687, "term-AIO_DF_INTS-SAPT", true]], "algorithm (dct)": [[1687, "term-ALGORITHM-DCT", true]], "all() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.all", false]], "all_casings() (in module psi4.driver.p4util)": [[330, "psi4.driver.p4util.all_casings", false]], "allen_focal_point() (in module psi4.driver.aliases)": [[1723, "psi4.driver.aliases.allen_focal_point", false]], "allocate() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.allocate", false]], "alpha() (psi4.core.functional method)": [[80, "psi4.core.Functional.alpha", false]], "alpha_corr_to_pitzer() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.alpha_corr_to_pitzer", false]], "alpha_orbital_space() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.alpha_orbital_space", false]], "am (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.am", false]], "amchar (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.AMCHAR", false], [81, "psi4.core.GaussianShell.amchar", false]], "analyze (ccenergy)": [[1687, "term-ANALYZE-CCENERGY", true]], "analyze (ccresponse)": [[1687, "term-ANALYZE-CCRESPONSE", true]], "angstrom (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.Angstrom", false]], "angularmomentumint (class in psi4.core)": [[4, "psi4.core.AngularMomentumInt", false]], "anharmonicity()": [[1744, "index-0", false]], "anharmonicity() (in module psi4.driver.diatomic)": [[1744, "psi4.driver.diatomic.anharmonicity", false]], "ansatz() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.ansatz", false]], "ansatz() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.ansatz", false]], "ao_3center_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_3center_deriv1", false]], "ao_3coverlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_3coverlap", false]], "ao_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_angular_momentum", false]], "ao_angular_momentum() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_angular_momentum", false]], "ao_basis (ccdensity)": [[1687, "term-AO_BASIS-CCDENSITY", true]], "ao_basis (ccenergy)": [[1687, "term-AO_BASIS-CCENERGY", true]], "ao_basis (cclambda)": [[1687, "term-AO_BASIS-CCLAMBDA", true]], "ao_basis (cctransort)": [[1687, "term-AO_BASIS-CCTRANSORT", true]], "ao_basis (dct)": [[1687, "term-AO_BASIS-DCT", true]], "ao_dipole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_dipole", false]], "ao_dipole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_dipole", false]], "ao_dkh() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_dkh", false]], "ao_efp_multipole_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_efp_multipole_potential", false]], "ao_elec_dip_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_elec_dip_deriv1", false]], "ao_erf_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_erf_eri", false]], "ao_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_eri", false]], "ao_eri_shell() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_eri_shell", false]], "ao_f12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12", false]], "ao_f12_double_commutator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12_double_commutator", false]], "ao_f12_squared() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12_squared", false]], "ao_f12g12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12g12", false]], "ao_kinetic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_kinetic", false]], "ao_kinetic() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_kinetic", false]], "ao_metric_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_metric_deriv1", false]], "ao_multipole_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_multipole_potential", false]], "ao_multipole_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipole_potential", false]], "ao_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_multipoles", false]], "ao_multipoles() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipoles", false]], "ao_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_nabla", false]], "ao_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_nabla", false]], "ao_oei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_oei_deriv1", false]], "ao_oei_deriv2() 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(psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_quadrupole", false]], "ao_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_quadrupole", false]], "ao_tei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv1", false]], "ao_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv2", false]], "ao_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ao_to_shell", false]], "ao_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_traceless_quadrupole", false]], "ao_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_traceless_quadrupole", false]], "aorbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.aOrbs", false]], "aoshellcombinationsiterator (class in psi4.core)": [[3, "psi4.core.AOShellCombinationsIterator", false]], "aotoso() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.aotoso", false]], "aotoso() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.aotoso", false]], "append() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.append", false]], "appendcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.appendCharges", false]], "apply_denominator() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.apply_denominator", false]], "approx_solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.approx_solve", false]], "aqcc correlation energy": [[1759, "psivar-AQCC-CORRELATION-ENERGY", false]], "aqcc dipole": [[1759, "psivar-AQCC-DIPOLE", false]], "aqcc doubles energy": [[1759, "psivar-AQCC-DOUBLES-ENERGY", false]], "aqcc opposite-spin correlation energy": [[1759, "psivar-AQCC-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "aqcc quadrupole": [[1759, "psivar-AQCC-QUADRUPOLE", false]], "aqcc same-spin correlation energy": [[1759, "psivar-AQCC-SAME-SPIN-CORRELATION-ENERGY", false]], "aqcc 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"axpy_matrix() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1687, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module 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false], [1713, "index-1", false], [1713, "index-2", false], [1713, "index-3", false], [1714, "index-0", false], [1715, "index-0", false], [1716, "index-0", false], [1723, "index-0", false], [1723, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[147, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1687, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1687, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[92, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1759, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1687, "term-BCCD_MAXITER-CCENERGY", true]], "be_quiet() (in module psi4.core)": [[153, "psi4.core.be_quiet", false]], "begin() (psi4.core.slice method)": [[137, "psi4.core.Slice.begin", false]], "bench (globals)": [[1687, "term-BENCH-GLOBALS", true]], "benchmark_blas1() (in module psi4.core)": [[154, "psi4.core.benchmark_blas1", false]], "benchmark_blas2() (in module psi4.core)": [[155, "psi4.core.benchmark_blas2", false]], "benchmark_blas3() (in module psi4.core)": [[156, "psi4.core.benchmark_blas3", false]], "benchmark_disk() (in module psi4.core)": [[157, "psi4.core.benchmark_disk", false]], "benchmark_integrals() (in module psi4.core)": [[158, "psi4.core.benchmark_integrals", false]], "benchmark_math() (in module psi4.core)": [[159, "psi4.core.benchmark_math", false]], "bendazzoli (detci)": [[1687, "term-BENDAZZOLI-DETCI", true]], "beta_corr_to_pitzer() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.beta_corr_to_pitzer", false]], "beta_orbital_space() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.beta_orbital_space", false]], "bfs() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.BFS", false]], "bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.bibtex", false]], "bindex() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.bIndex", false]], "bits() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.bits", false]], "blank() (psi4.core.superfunctional static method)": [[138, "psi4.core.SuperFunctional.blank", false]], "blend() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.blend", false]], "block_diagonal_array() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.block_diagonal_array", false]], "blockopoints (class in psi4.core)": [[9, "psi4.core.BlockOPoints", false]], "blocks() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.blocks", false]], "bohr (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.Bohr", false]], "bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bohr_per_ang", false]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bond_width", false]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonding_alpha", false]], "bonds (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonds", false]], "borbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.bOrbs", false]], "border (pe)": [[1687, "term-BORDER-PE", true]], "border_n_redist (pe)": [[1687, "term-BORDER_N_REDIST-PE", true]], "border_redist_order (pe)": [[1687, "term-BORDER_REDIST_ORDER-PE", true]], "border_redist_pol (pe)": [[1687, 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"psi4.driver.driver_nbody.ManyBodyComputer.build_tasks", false]], "c() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.C", false]], "c1_deep_copy() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rhf method)": [[128, "psi4.core.RHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.uhf method)": [[145, "psi4.core.UHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.c1_deep_copy", false]], "c2_x() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.c2_x", false]], "c2_y() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.c2_y", false]], "c2_z() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.c2_z", false]], "c_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_add", false]], "c_alpha() 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"term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1687, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1687, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1687, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1759, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1759, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1759, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1759, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[284, "index-0", false], [1723, "index-0", false], [1723, "index-1", false], [1723, "index-2", false], [1723, "index-3", false], [1724, "index-0", false]], "cbs() (in module psi4.driver)": [[284, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1725, "index-0", false]], "cc (detci)": [[1687, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1759, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1759, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1759, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1759, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1759, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1759, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1759, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1759, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1759, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1759, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1759, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1759, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1759, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1759, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1759, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1759, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1759, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1759, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1759, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1725, "index-0", false]], "cc2 alpha-alpha pair energies": [[1759, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1759, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1759, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1759, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1759, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1759, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1759, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1759, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1759, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1759, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1759, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1759, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1759, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1759, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1759, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1759, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1759, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1759, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1759, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1759, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1687, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1759, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1759, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1687, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1687, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1687, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1687, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1687, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1687, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1687, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1687, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1687, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1687, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1687, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1687, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1687, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1687, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1687, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1687, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1687, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1687, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1687, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1687, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1687, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1687, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1687, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1687, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1687, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1687, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1687, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1687, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1687, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1687, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1759, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1759, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1759, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1759, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1759, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1759, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1687, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1687, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1687, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[160, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[161, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[162, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[163, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1687, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[164, "psi4.core.cclambda", false]], "ccn correlation energy": [[1759, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1759, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1759, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1759, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1759, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1759, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1759, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1759, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1759, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1759, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1759, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1759, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1759, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1759, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-A-LEN", false]], "ccname root m (in h) -> root n (in i) einstein b (len)": [[1759, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-B-LEN", false]], "ccname root m (in h) -> root n (in i) oscillator strength (len)": [[1759, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (len)": [[1759, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (vel)": [[1759, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1759, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1759, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1759, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1759, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1759, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1759, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1759, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1759, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1759, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1759, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1759, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1759, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1759, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1759, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1759, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1759, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1759, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1759, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1759, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1759, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1759, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1759, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1759, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1759, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1759, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1759, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1759, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1759, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[165, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1759, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1759, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1759, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1759, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1759, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1759, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1759, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1759, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1759, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1759, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1759, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1759, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1759, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1759, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1759, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1759, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1759, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1759, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1759, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1759, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1759, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1754, "index-1", false]], "ccsd(t) correlation energy": [[1759, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1759, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1759, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1759, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1759, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1759, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1759, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1759, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1759, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1759, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1759, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1759, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1759, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1759, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1759, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1759, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1759, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1759, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1759, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1759, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1759, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1759, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1759, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1759, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1759, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1759, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1759, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1759, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[166, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[167, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1754, "index-1", false]], "cepa(0) correlation energy": [[1759, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1759, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1759, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1759, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1759, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1759, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1759, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1759, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1759, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1759, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1759, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1759, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1759, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1759, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1759, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1759, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1759, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1759, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1759, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1759, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1759, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1759, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1759, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1759, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1759, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1759, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1687, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1687, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1687, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1687, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1687, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1687, "term-CEPA_TYPE-OCC", true]], "cfour": [[1726, "index-0", false]], "cfour error code": [[1759, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1687, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1687, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1687, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1687, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1687, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1687, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1687, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1687, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1687, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1687, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1687, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1687, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1687, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1687, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1687, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1687, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1687, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1687, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1687, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1687, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1687, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1687, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1687, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1687, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1687, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1687, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1687, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1687, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1687, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1687, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1687, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1687, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1687, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1687, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1687, "term-CFOUR_ECP-CFOUR", true]], "cfour_eigenvector (cfour)": [[1687, "term-CFOUR_EIGENVECTOR-CFOUR", true]], "cfour_el_anharm (cfour)": [[1687, "term-CFOUR_EL_ANHARM-CFOUR", true]], "cfour_eom_nonit (cfour)": [[1687, "term-CFOUR_EOM_NONIT-CFOUR", true]], "cfour_estate_conv (cfour)": [[1687, "term-CFOUR_ESTATE_CONV-CFOUR", true]], "cfour_estate_maxcyc (cfour)": [[1687, "term-CFOUR_ESTATE_MAXCYC-CFOUR", true]], "cfour_estate_prop (cfour)": [[1687, "term-CFOUR_ESTATE_PROP-CFOUR", true]], "cfour_estate_sym (cfour)": [[1687, "term-CFOUR_ESTATE_SYM-CFOUR", true]], "cfour_estate_trans (cfour)": [[1687, "term-CFOUR_ESTATE_TRANS-CFOUR", true]], "cfour_eval_hess (cfour)": [[1687, "term-CFOUR_EVAL_HESS-CFOUR", true]], "cfour_excitation (cfour)": [[1687, "term-CFOUR_EXCITATION-CFOUR", true]], "cfour_excite (cfour)": [[1687, "term-CFOUR_EXCITE-CFOUR", true]], "cfour_fc_field (cfour)": [[1687, "term-CFOUR_FC_FIELD-CFOUR", true]], "cfour_fd_calctype (cfour)": [[1687, "term-CFOUR_FD_CALCTYPE-CFOUR", true]], "cfour_fd_irreps (cfour)": [[1687, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1687, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1687, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1687, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1687, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1687, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1687, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1687, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1687, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1687, 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(psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1742, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1742, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1735, "index-0", false], [1735, "index-3", false], [1735, "index-4", false], [1818, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1735, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1735, "index-0", false]], "db() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1759, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1759, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1759, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1736, "index-0", false]], "dct lambda energy": [[1759, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1759, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1759, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1759, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[173, "psi4.core.dct", false]], "dct_functional (dct)": [[1687, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1687, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1687, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1759, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1737, "index-0", false]], "ddx (globals)": [[1687, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1687, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1687, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1687, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1687, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1687, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1687, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1687, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1687, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1687, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1687, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1687, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1687, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1687, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1687, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1687, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1687, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1687, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1687, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1687, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1687, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1687, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1687, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1687, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1687, "term-DEBUG-CPHF", true]], "debug (globals)": [[1687, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1715, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[174, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[175, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[176, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1687, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1723, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1687, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1687, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1739, "index-0", false], [1754, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1687, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1687, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1742, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[80, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1759, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[177, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1687, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1754, "index-1", false]], "df-mp2": [[1739, "index-0", false], [1739, "index-1", false]], "df_basis_cc (fnocc)": [[1687, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1687, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1687, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1687, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1687, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1687, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1687, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1687, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1687, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1687, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1687, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1687, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1687, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1687, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1687, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1687, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1687, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1687, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1687, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1687, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1687, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1687, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1687, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1687, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1687, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[102, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[178, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1687, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1687, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1687, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[179, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1740, "index-0", false], [1741, "index-0", false], [1767, "index-0", false]], "dft dipole gradient": [[1759, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1759, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1759, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1759, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1759, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1759, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1759, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1687, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1687, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1687, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1687, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1687, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1687, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1687, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1687, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1687, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1687, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1687, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1687, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1687, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1687, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1687, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1687, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1687, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1687, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1687, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1687, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1687, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1687, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1687, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1687, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1687, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1687, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1687, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1687, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1687, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1687, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1687, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1687, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1687, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1687, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1742, "index-0", false]], "dftd4": [[1742, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1743, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1687, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1687, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1687, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1687, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1821, "index-2", false]], "diis (ccenergy)": [[1687, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1687, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1687, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1687, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1687, "term-DIIS-MCSCF", true]], "diis (scf)": [[1687, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[84, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[128, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1687, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1687, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1687, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1687, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1687, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1687, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1687, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1687, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1687, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1687, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1687, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1687, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1687, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1687, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1687, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1687, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1687, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[148, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[148, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1687, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1687, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1742, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1687, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1759, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1758, "index-0", false]], "distributed_matrix (scf)": [[1687, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1745, "index-0", false]], "dkh_order (globals)": [[1687, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[180, "psi4.core.dlpno", false]], "dlpno-mp2": [[1746, "index-0", false], [1746, "index-1", false]], "dlpno_algorithm (dlpno)": [[1687, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1687, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1687, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1758, "index-0", false]], "dma distributed multipoles": [[1759, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1759, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[181, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1759, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1759, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1687, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1687, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1687, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1687, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1687, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1687, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1687, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1687, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1687, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1687, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1687, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1687, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1687, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1687, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1687, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1687, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1687, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1687, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1687, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1687, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1687, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1687, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1687, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1687, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1687, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], "do_ccd_disp (sapt)": [[1687, "term-DO_CCD_DISP-SAPT", true]], "do_cubes() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.do_cubes", false]], "do_diis (dfocc)": [[1687, "term-DO_DIIS-DFOCC", true]], "do_diis (occ)": [[1687, "term-DO_DIIS-OCC", true]], "do_disp_exch_sinf (sapt)": [[1687, "term-DO_DISP_EXCH_SINF-SAPT", true]], "do_incfock_iter() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.do_incfock_iter", false]], "do_incfock_iter() (psi4.core.directjk method)": [[66, "psi4.core.DirectJK.do_incfock_iter", false]], "do_ind30_exch_sinf (sapt)": [[1687, "term-DO_IND30_EXCH_SINF-SAPT", true]], "do_ind_exch_sinf (sapt)": [[1687, "term-DO_IND_EXCH_SINF-SAPT", true]], "do_level_shift (dfocc)": [[1687, "term-DO_LEVEL_SHIFT-DFOCC", true]], "do_level_shift (occ)": [[1687, "term-DO_LEVEL_SHIFT-OCC", true]], "do_mbpt_disp (sapt)": [[1687, "term-DO_MBPT_DISP-SAPT", true]], "do_scs (dfocc)": [[1687, "term-DO_SCS-DFOCC", true]], "do_scs (occ)": [[1687, "term-DO_SCS-OCC", true]], "do_sos (dfocc)": [[1687, "term-DO_SOS-DFOCC", true]], "do_sos (occ)": [[1687, "term-DO_SOS-OCC", true]], "do_third_order (sapt)": [[1687, "term-DO_THIRD_ORDER-SAPT", true]], "docc (globals)": [[1687, "term-DOCC-GLOBALS", true]], "docc (mcscf)": [[1687, "term-DOCC-MCSCF", true]], "doccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.doccpi", false]], "docs_table_link() (in module psi4.driver)": [[292, "psi4.driver.docs_table_link", false]], "docs_table_link() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.docs_table_link", false]], "doi_basis_tolerance (dlpno)": [[1687, "term-DOI_BASIS_TOLERANCE-DLPNO", true]], "doi_pruning_scheme (dlpno)": [[1687, "term-DOI_PRUNING_SCHEME-DLPNO", true]], "doi_radial_points (dlpno)": [[1687, "term-DOI_RADIAL_POINTS-DLPNO", true]], "doi_spherical_points (dlpno)": [[1687, "term-DOI_SPHERICAL_POINTS-DLPNO", true]], "domain (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.domain", false]], "dot() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.dot", false]], "double-hybrid correction energy": [[1759, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", false]], "doublet() (in module psi4.core)": [[182, "psi4.core.doublet", false]], "doublet() (psi4.core.matrix static method)": [[100, "psi4.core.Matrix.doublet", false]], "dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.DPD_ID", false]], "dpdbuf4 (class in psi4.core)": [[183, "psi4.core.dpdbuf4", false]], "dpdfile2 (class in psi4.core)": [[184, "psi4.core.dpdfile2", false]], "dpotrf() (in module psi4.core)": [[40, "psi4.core.DPOTRF", false]], "dpotri() (in module psi4.core)": [[41, "psi4.core.DPOTRI", false]], "dpotrs() (in module psi4.core)": [[42, "psi4.core.DPOTRS", false]], "driver (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.driver", false]], "driver (psi4.driver.driver_cbs.compositecomputer attribute)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.driver", false]], "driver (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1755, "psi4.driver.driver_findif.FiniteDifferenceComputer.driver", false]], "driver (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.driver", false]], "drop_duplicates() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.drop_duplicates", false]], "drot() (in module 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module psi4.core)": [[58, "psi4.core.DTRMV", false]], "dtrsm() (in module psi4.core)": [[59, "psi4.core.DTRSM", false]], "dtrsv() (in module psi4.core)": [[60, "psi4.core.DTRSV", false]], "dum() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.dum", false]], "dummy_einsums() (in module psi4.core)": [[185, "psi4.core.dummy_einsums", false]], "dummy_integratorxx() (in module psi4.core)": [[186, "psi4.core.dummy_integratorxx", false]], "dynamic_level (optking)": [[1687, "term-DYNAMIC_LEVEL-OPTKING", true]], "dynamic_variable_bind() (in module psi4.driver)": [[293, "psi4.driver.dynamic_variable_bind", false]], "e() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.E", false]], "e3_scale (dfocc)": [[1687, "term-E3_SCALE-DFOCC", true]], "e3_scale (occ)": [[1687, "term-E3_SCALE-OCC", true]], "e_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.e_conv", false]], "e_convergence (ccenergy)": [[1687, "term-E_CONVERGENCE-CCENERGY", true]], "e_convergence (cceom)": [[1687, "term-E_CONVERGENCE-CCEOM", true]], "e_convergence (dct)": [[1687, "term-E_CONVERGENCE-DCT", true]], "e_convergence (detci)": [[1687, "term-E_CONVERGENCE-DETCI", true]], "e_convergence (dfocc)": [[1687, "term-E_CONVERGENCE-DFOCC", true]], "e_convergence (dlpno)": [[1687, "term-E_CONVERGENCE-DLPNO", true]], "e_convergence (fnocc)": [[1687, "term-E_CONVERGENCE-FNOCC", true]], "e_convergence (mcscf)": [[1687, "term-E_CONVERGENCE-MCSCF", true]], "e_convergence (mrcc)": [[1687, "term-E_CONVERGENCE-MRCC", true]], "e_convergence (occ)": [[1687, "term-E_CONVERGENCE-OCC", true]], "e_convergence (psimrcc)": [[1687, "term-E_CONVERGENCE-PSIMRCC", true]], "e_convergence (scf)": [[1687, "term-E_CONVERGENCE-SCF", true]], "ea_poles (occ)": [[1687, "term-EA_POLES-OCC", true]], "ecp_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ecp_shell", false]], "ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ecp_shell_on_center", false]], "ecpint": [[1748, "index-0", false]], "efp": [[1765, "index-0", false], [1765, "index-1", false], [1765, "index-4", false], [1765, "index-5", false]], "efp disp energy": [[1759, "psivar-EFP-DISP-ENERGY", false]], "efp elst energy": [[1759, "psivar-EFP-ELST-ENERGY", false]], "efp exch energy": [[1759, "psivar-EFP-EXCH-ENERGY", false]], "efp ind energy": [[1759, "psivar-EFP-IND-ENERGY", false]], "efp torque": [[1759, "psivar-EFP-TORQUE", false]], "efp total energy": [[1759, "psivar-EFP-TOTAL-ENERGY", false]], "efp_disp (efp)": [[1687, "term-EFP_DISP-EFP", true]], "efp_disp_damping (efp)": [[1687, "term-EFP_DISP_DAMPING-EFP", true]], "efp_elst (efp)": [[1687, "term-EFP_ELST-EFP", true]], "efp_elst_damping (efp)": [[1687, "term-EFP_ELST_DAMPING-EFP", true]], "efp_exch (efp)": [[1687, "term-EFP_EXCH-EFP", true]], "efp_ind (efp)": [[1687, "term-EFP_IND-EFP", true]], "efp_ind_damping (efp)": [[1687, "term-EFP_IND_DAMPING-EFP", true]], "efp_qm_elst (efp)": [[1687, "term-EFP_QM_ELST-EFP", true]], "efp_qm_ind (efp)": [[1687, "term-EFP_QM_IND-EFP", true]], "efzc() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.efzc", false]], "ekt_ea (occ)": [[1687, "term-EKT_EA-OCC", true]], "ekt_ip (dfocc)": [[1687, "term-EKT_IP-DFOCC", true]], "ekt_ip (occ)": [[1687, "term-EKT_IP-OCC", true]], "electric_field() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.electric_field", false]], "electric_field() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.electric_field", false]], "electric_field_value() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.electric_field_value", false]], "electricfieldint (class in psi4.core)": [[71, "psi4.core.ElectricFieldInt", false]], "electrostatic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.electrostatic", false]], "electrostatic_potential_value() (psi4.core.mintshelper method)": [[103, 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module psi4.driver.frac)": [[1751, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1687, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1687, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[84, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1687, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1751, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1687, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1687, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1687, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[79, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_all_dihedrals (optking)": [[1687, "term-FREEZE_ALL_DIHEDRALS-OPTKING", true]], "freeze_core (globals)": [[1687, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1687, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1687, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1687, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1687, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1755, "index-0", false]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq", false]], "frequencies()": [[1755, "index-0", false]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1755, "index-0", false]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency", false]], "frequency();": [[1755, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[106, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1754, "index-0", false]], "frozen natural orbitals": [[1754, "index-1", false]], "frozen_bend (optking)": [[1687, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1687, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1687, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1687, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1687, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1687, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1687, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1687, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1687, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1755, "index-0", false], [1783, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[80, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[84, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[147, "psi4.core.VBase.functional", false]], "functionals": [[1767, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fZ", false], [106, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1687, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1756, "index-0", false]], "gauge (adc)": [[1687, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1687, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1687, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1752, "index-0", false]], "gaussianshell (class in psi4.core)": [[81, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[82, "psi4.core.GaussianType", false]], "gcp": [[1757, "index-0", false]], "gdma": [[1758, "index-0", false]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1687, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1687, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1687, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1687, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1687, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1815, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1687, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1783, "index-0", false], [1785, "index-1", false], [1785, "index-2", false], [1785, "index-3", false], [1785, "index-4", false]], "geometry optimization, optimization": [[1785, "index-0", false]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[83, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[148, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[191, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[192, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[193, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[114, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[194, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[114, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[195, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[196, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[114, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[114, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[197, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[198, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_memory", false]], "get_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_method", false]], "get_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.get_mix_data", false]], "get_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_MO_core", false]], "get_np_xyzw() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[199, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_beta", false]], "get_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_opdm", false]], "get_option() (in module psi4.core)": [[200, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[201, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[202, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1755, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1755, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[114, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[203, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[204, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[205, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[86, "psi4.core.IO.getpid", false]], "ghost": [[1816, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1816, "index-3", false]], "gibbs free energy": [[1759, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1759, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1783, "index-0", false]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1687, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1759, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1759, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1759, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[147, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1687, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[84, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1687, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1687, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1687, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1687, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1687, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1687, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1687, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1687, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1687, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1687, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1687, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1826, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1821, "index-0", false]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1687, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1687, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1687, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1687, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1687, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1687, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1687, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1687, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1687, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1687, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1755, "index-0", false]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1687, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1821, "index-0", false]], "hf (class in psi4.core)": [[84, "psi4.core.HF", false]], "hf dipole gradient": [[1759, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1759, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1759, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1759, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1759, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1759, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1759, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1820, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hold_options_state", false]], "host": [[1721, "index-21", false], [1721, "index-23", false], [1750, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1687, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module 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(psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[148, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[92, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1721, "index-0", false]], "intcos_generate_exit (optking)": [[1687, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1687, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1687, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[89, "psi4.core.IntegralFactory", false]], "integrals": 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"term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1687, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1687, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1687, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1687, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1687, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1687, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1687, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1687, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1687, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1687, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1687, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1687, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in 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"psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional 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false]], "kind (adc)": [[1687, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[93, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[359, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[95, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1759, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1759, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1759, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1759, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1759, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1759, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1759, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1754, "index-1", false]], "lccsd (+lmp2) total energy": [[1759, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd correlation energy": [[1759, "psivar-LCCSD-CORRELATION-ENERGY", false]], "lccsd doubles energy": [[1759, "psivar-LCCSD-DOUBLES-ENERGY", false]], "lccsd opposite-spin correlation energy": [[1759, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccsd same-spin correlation energy": [[1759, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccsd singles energy": [[1759, "psivar-LCCSD-SINGLES-ENERGY", false]], "lccsd total energy": [[1759, 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"libefp": [[1765, "index-0", false]], "libint": [[1766, "index-0", false]], "libint2_configuration() (in module psi4.driver)": [[310, "psi4.driver.libint2_configuration", false]], "libint2_configuration() (in module psi4.driver.p4util)": [[361, "psi4.driver.p4util.libint2_configuration", false]], "libint2_print_out() (in module psi4.driver)": [[311, "psi4.driver.libint2_print_out", false]], "libint2_print_out() (in module psi4.driver.p4util)": [[362, "psi4.driver.p4util.libint2_print_out", false]], "libint2_solid_harmonics_ordering() (in module psi4.core)": [[214, "psi4.core.libint2_solid_harmonics_ordering", false]], "library fragments": [[1765, "index-1", false], [1765, "index-5", false]], "libxc": [[1767, "index-0", false]], "libxcfunctional (class in psi4.core)": [[96, "psi4.core.LibXCFunctional", false]], "license": [[1764, "index-2", false]], "light (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light", false]], "light_color 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"mintshelper() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.mintshelper", false]], "missingmethoderror": [[269, "psi4.driver.MissingMethodError", false]], "mixed (detci)": [[1687, "term-MIXED-DETCI", true]], "mixed4 (detci)": [[1687, "term-MIXED4-DETCI", true]], "mk-mrcc": [[1812, "index-0", false]], "mkl_num_threads": [[1750, "envvar-MKL_NUM_THREADS", false], [1750, "index-8", false]], "mkl_root": [[1721, "envvar-MKL_ROOT", false]], "mo_diis_num_vecs (dfocc)": [[1687, "term-MO_DIIS_NUM_VECS-DFOCC", true]], "mo_elec_dip_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_elec_dip_deriv1", false]], "mo_erf_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_erf_eri", false]], "mo_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_eri", false]], "mo_extents() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.mo_extents", false]], "mo_f12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12", false]], "mo_f12_double_commutator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12_double_commutator", false]], "mo_f12_squared() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12_squared", false]], "mo_f12g12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12g12", false]], "mo_maxiter (dfocc)": [[1687, "term-MO_MAXITER-DFOCC", true]], "mo_maxiter (occ)": [[1687, "term-MO_MAXITER-OCC", true]], "mo_oei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_oei_deriv1", false]], "mo_oei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_oei_deriv2", false]], "mo_overlap_half_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_overlap_half_deriv1", false]], "mo_read (mcscf)": [[1687, "term-MO_READ-MCSCF", true]], "mo_read (occ)": [[1687, "term-MO_READ-OCC", true]], "mo_spin_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_spin_eri", false]], "mo_step_max (dfocc)": [[1687, "term-MO_STEP_MAX-DFOCC", true]], "mo_step_max (occ)": [[1687, "term-MO_STEP_MAX-OCC", true]], "mo_tei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv1", false]], "mo_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv2", false]], "mo_transform() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_transform", false]], "mo_write (occ)": [[1687, "term-MO_WRITE-OCC", true]], "module": [[1755, "module-psi4.driver.qcdb.vib", false], [1810, "module-psi4.core", false], [1810, "module-psi4.driver", false], [1810, "module-psi4.driver.p4util", false]], "module (cphf)": [[1687, "term-MODULE-CPHF", true]], "module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.module", false]], "mofa() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFa", false]], "mofb() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFb", false]], "mofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1687, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1774, "index-0", false]], "molden() (in module psi4.driver)": [[314, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1687, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1687, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1687, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[104, "psi4.core.MoldenWriter", false]], "molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.molecular_charge", false]], "moleculargrid (class in psi4.core)": [[105, "psi4.core.MolecularGrid", false]], "molecule": [[1765, "index-4", false], [1816, "index-0", false], [1816, "index-1", false], [1816, "index-2", false], [1816, "index-3", false], [1816, "index-4", false], [1816, "index-5", false], [1816, "index-7", false]], "molecule (class in psi4.core)": [[106, "psi4.core.Molecule", false]], "molecule (class in psi4.driver.qcdb)": [[1751, "psi4.driver.qcdb.Molecule", false]], "molecule (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.molecule", false]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.molecule", false]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1755, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule", false]], "molecule (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.molecule", false]], "molecule specification": [[1765, "index-4", false]], "molecule() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.molecule", false]], "molecule() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.molecule", false]], "molecule() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.molecule", false]], "molecule_get_attr() (in module psi4.driver)": [[315, "psi4.driver.molecule_get_attr", false]], "molecule_set_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_set_attr", false]], "mom": [[1821, "index-2", false]], "mom_excited_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_excited_", false]], "mom_occ (scf)": [[1687, "term-MOM_OCC-SCF", true]], "mom_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_performed_", false]], "mom_start (scf)": [[1687, "term-MOM_START-SCF", true]], "mom_vir (scf)": [[1687, "term-MOM_VIR-SCF", true]], "montage": [[1733, "envvar-MONTAGE", false], [1733, "index-2", false]], "mospace (class in psi4.core)": [[98, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[99, "psi4.core.MOWriter", false]], "mp2": [[1739, "index-0", false]], "mp2 alpha-alpha pair energies": [[1759, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1759, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1759, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1759, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1759, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1759, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1759, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1759, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1759, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1759, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1759, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1759, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1759, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1759, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1759, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1759, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1759, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1759, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1759, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1759, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1687, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1687, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1687, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1687, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1687, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1687, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1687, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1687, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1687, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1687, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1687, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1687, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1687, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1687, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1687, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1687, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1687, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1687, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1687, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1759, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1759, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1759, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1759, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1759, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1759, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1754, "index-1", false]], "mp4 correlation energy": [[1759, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1759, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1759, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1759, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1759, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1759, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1759, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1687, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1687, "term-MPN-DETCI", true]], "mpn correlation energy": [[1759, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1759, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1687, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1687, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1687, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1775, "index-0", false]], "mrcc total energy": [[1759, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1687, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1687, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1687, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1687, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1687, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1687, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1687, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1759, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1687, "term-MS0-DETCI", true]], "mtd 128-pole": [[1759, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1759, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1759, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1759, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1759, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1759, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1759, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1759, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1772, "index-2", false]], "multiple fragments": [[1816, "index-7", false]], "multiple in input file": [[1816, "index-1", false]], "multiple within molecule": [[1713, "index-1", false]], "multiplicity": [[1816, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[107, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[108, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1812, "index-0", false]], "n() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.n", false]], "n() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.n", false]], "n_ecp_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_core", false]], "n_ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_shell_on_center", false]], "n_frozen_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_frozen_core", false]], "nablaint (class in psi4.core)": [[109, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalphapi", false]], "name (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.name", false]], "name (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.name", false]], "name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[88, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[148, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[80, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[92, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1687, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1687, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1687, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1687, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1687, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1687, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1687, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1759, "psivar-NAUX-CC", false]], "naux (scf)": [[1759, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() 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false]], "omp3 opposite-spin correlation energy": [[1759, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp3 reference correction energy": [[1759, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", false]], "omp3 same-spin correlation energy": [[1759, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", false]], "omp3 total energy": [[1759, "psivar-OMP3-TOTAL-ENERGY", false]], "omp_nested": [[1739, "index-2", false], [1739, "index-3", false], [1750, "envvar-OMP_NESTED", false]], "omp_num_threads": [[661, "index-0", false], [1206, "index-0", false], [1224, "index-0", false], [1240, "index-0", false], [1687, "index-0", false], [1687, "index-1", false], [1726, "index-9", false], [1750, "envvar-OMP_NUM_THREADS", false], [1750, "index-14", false], [1750, "index-7", false]], "one-electron energy": [[1759, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in 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"r_convergence (psimrcc)": [[1687, "term-R_CONVERGENCE-PSIMRCC", true]], "r_points (scf)": [[1687, "term-R_POINTS-SCF", true]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radial_scale", false]], "radii (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radii", false]], "radius (scf)": [[1687, "term-RADIUS-SCF", true]], "random phase approximation": [[1824, "index-0", false]], "ranged_bend (optking)": [[1687, "term-RANGED_BEND-OPTKING", true]], "ranged_dihedral (optking)": [[1687, "term-RANGED_DIHEDRAL-OPTKING", true]], "ranged_distance (optking)": [[1687, "term-RANGED_DISTANCE-OPTKING", true]], "ranged_oofp (optking)": [[1687, "term-RANGED_OOFP-OPTKING", true]], "ras1 (globals)": [[1687, "term-RAS1-GLOBALS", true]], "ras2 (globals)": [[1687, "term-RAS2-GLOBALS", true]], "ras3 (globals)": [[1687, "term-RAS3-GLOBALS", true]], "ras34_max (detci)": [[1687, "term-RAS34_MAX-DETCI", true]], "ras3_max (detci)": [[1687, "term-RAS3_MAX-DETCI", true]], "ras4 (globals)": [[1687, "term-RAS4-GLOBALS", true]], "ras4_max (detci)": [[1687, "term-RAS4_MAX-DETCI", true]], "raw_compute_properties() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.raw_compute_properties", false]], "raw_plot() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.raw_plot", false]], "read() (psi4.core.civector method)": [[12, "psi4.core.CIVector.read", false]], "read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.read_globals", false]], "read_scf_3index (dfocc)": [[1687, "term-READ_SCF_3INDEX-DFOCC", true]], "real (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Real", false]], "reference (adc)": [[1687, "term-REFERENCE-ADC", true]], "reference (ccdensity)": [[1687, "term-REFERENCE-CCDENSITY", true]], "reference (ccenergy)": [[1687, "term-REFERENCE-CCENERGY", true]], "reference (cceom)": [[1687, "term-REFERENCE-CCEOM", true]], "reference (ccresponse)": [[1687, "term-REFERENCE-CCRESPONSE", true]], "reference (cctransort)": [[1687, "term-REFERENCE-CCTRANSORT", true]], "reference (cctriples)": [[1687, "term-REFERENCE-CCTRIPLES", true]], "reference (dct)": [[1687, "term-REFERENCE-DCT", true]], "reference (detci)": [[1687, "term-REFERENCE-DETCI", true]], "reference (mcscf)": [[1687, "term-REFERENCE-MCSCF", true]], "reference (scf)": [[1687, "term-REFERENCE-SCF", true]], "reference_sym (detci)": [[1687, "term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1687, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1723, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1723, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1687, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[86, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1819, "index-0", false]], "relativistic (globals)": [[1687, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1687, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1687, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1759, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1759, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1759, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1759, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1759, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1759, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1687, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1687, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[234, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1687, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.reset_so_int", 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"term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1687, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1687, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1687, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1687, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1687, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[106, 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true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1726, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1742, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1742, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1757, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1687, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1687, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1687, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1687, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() 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[[1687, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1687, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[131, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[134, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1687, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1820, "index-0", false], [1820, "index-1", false], [1820, "index-2", false], [1820, "index-3", false], [1820, "index-4", false], [1820, "index-5", false]], "sapt (scf)": [[1687, "term-SAPT-SCF", true]], "sapt alpha": [[1759, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1759, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1759, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1759, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1759, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1759, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1759, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1759, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1759, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1759, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1759, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1759, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1759, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1759, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1759, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1759, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1759, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1759, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1759, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1759, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1759, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1759, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1759, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1759, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1759, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1759, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1759, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1759, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1759, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1759, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1759, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1759, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1759, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1759, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1759, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1759, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1759, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1759, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1759, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1759, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1759, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1759, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1759, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1759, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1759, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1759, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1759, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1759, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1759, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1759, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1759, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1759, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1759, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1759, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1759, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1759, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1759, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[237, "psi4.core.sapt", false]], "sapt(dft)": [[1820, "index-2", false]], "sapt0": [[1820, "index-1", false]], "sapt0 disp energy": [[1759, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1759, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1759, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1759, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1759, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1687, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1687, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1687, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1759, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1759, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1759, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1759, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1759, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1759, "psivar-1", false]], "sapt2+ elst energy": [[1759, "psivar-2", false]], "sapt2+ exch energy": [[1759, "psivar-3", false]], "sapt2+ ind energy": [[1759, "psivar-4", false]], "sapt2+ total energy": [[1759, "psivar-9", false]], "sapt2+(3) disp energy": [[1759, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1759, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1759, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1759, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1759, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1759, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1759, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1759, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1759, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1759, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1759, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1759, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1759, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1759, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1759, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1759, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1759, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1759, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1759, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1759, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1759, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1759, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1759, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1759, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1759, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1759, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1759, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1759, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1759, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1759, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1759, "psivar-5", false]], "sapt2+3 elst energy": [[1759, "psivar-6", false]], "sapt2+3 exch energy": [[1759, "psivar-7", false]], "sapt2+3 ind energy": [[1759, "psivar-8", false]], "sapt2+3 total energy": [[1759, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1759, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1759, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1759, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1759, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1759, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1759, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1759, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1759, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1759, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1759, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1759, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1759, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1759, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1759, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1759, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1759, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1759, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1759, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1759, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1759, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1687, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1687, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1687, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1687, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1687, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1687, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1687, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1687, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1687, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1687, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1687, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1687, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1687, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1687, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1687, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1687, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1687, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[148, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1687, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1687, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1687, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[135, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[238, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[239, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[148, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[240, "psi4.core.scatter", false]], "scf": [[1821, "index-0", false], [1821, "index-1", false]], "scf dipole": [[1759, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1759, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1759, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1759, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1759, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1759, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1759, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1759, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1687, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1687, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1687, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1687, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1687, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1687, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1687, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1687, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[84, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1723, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1723, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1723, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1723, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[241, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[242, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1687, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.scramble", false]], "scratch files": [[1750, "index-0", false]], "screening (globals)": [[1687, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1759, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1759, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1759, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1759, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1759, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1759, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1759, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1759, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1759, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1759, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1759, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1759, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1759, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1759, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1759, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1759, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1687, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1687, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1687, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1687, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1687, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1687, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1687, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1759, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1759, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1687, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1687, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1687, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1687, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1687, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1687, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1687, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[84, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[148, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[243, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_ansatz", false]], "set_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_AO_core", false]], "set_array() (psi4.core.options method)": [[114, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[244, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[114, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_camera", false]], "set_ci_guess() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_ci_guess", false]], "set_citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_citation", false]], "set_citation() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_connectivity", false]], "set_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.set_COSX_grid", false]], "set_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[92, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[114, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1755, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[84, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[114, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[92, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1755, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1751, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[86, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[92, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[114, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[114, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.setName", false]], "setting": [[1723, "index-0", false], [1735, "index-0", false], [1744, "index-0", false], [1749, "index-0", false], [1755, "index-0", false], [1777, "index-1", false], [1783, "index-0", false], [1809, "index-0", false], [1815, "index-2", false], [1816, "index-2", false]], "setting keywords": [[1781, "index-2", false], [1781, "index-3", false], [1781, "index-4", false], [1781, "index-5", false], [1781, "index-6", false]], "sf_restrict (detci)": [[1687, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[148, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[86, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[87, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[136, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1723, "psi4.driver.aliases.sherrill_gold_standard", false]], "shift() (psi4.core.civector method)": [[12, "psi4.core.CIVector.shift", false]], "sigma() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.sigma", false]], "sigma_overlap (detci)": [[1687, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1822, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1749, "index-0", false]], "singles_print (cceom)": [[1687, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[137, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1687, "term-SMALL_CUTOFF-PSIMRCC", true]], "sns-mp2": [[1789, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[132, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1687, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1687, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1687, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1687, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1687, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1687, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1687, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1687, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1687, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1687, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1687, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[133, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1759, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1759, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1759, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1759, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1759, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1759, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1759, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1759, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1687, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1687, "term-SOS_TYPE-OCC", true]], "soscf": [[1821, "index-3", false]], "soscf (scf)": [[1687, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1687, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1687, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1687, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1687, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1687, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[84, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.sotoao", false]], "specification": [[1816, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1738, "index-3", false]], "spin_scale_type (occ)": [[1687, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1687, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1687, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1687, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1687, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1687, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1759, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1759, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1759, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1759, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1759, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1687, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1687, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1687, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1687, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1687, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1687, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1687, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1687, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1687, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[86, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1687, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1751, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1687, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[138, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1687, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1816, "index-2", false], [1816, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[139, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1687, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1687, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1687, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1687, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1687, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1687, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1687, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1687, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1687, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1687, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1687, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1687, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1687, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1824, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1755, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1777, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1751, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1751, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (vel)": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (h) -> root n (i) excitation energy": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) magnetic transition dipole moment": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (len)": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1759, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (vel)": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) excitation energy": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector alpha": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector beta": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) magnetic transition dipole moment": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (len)": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector alpha": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector beta": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (len)": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1759, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (len)": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 -> root n electric transition dipole moment (len) - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel)": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel) - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1759, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1759, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1759, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1759, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1759, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1824, "index-0", false]], "tddft": [[1824, "index-0", false]], "tdm (detci)": [[1687, "term-TDM-DETCI", true]], "tdscf": [[1824, "index-0", false], [1824, "index-1", false]], "tdscf() (in module psi4.driver)": [[398, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1687, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1687, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1687, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1687, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1687, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1687, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1687, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1687, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1687, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[277, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1687, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1687, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[256, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[278, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1759, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [284, "index-0", false], [1723, "index-1", false], [1724, "index-0", false], [1725, "index-0", false], [1736, "index-0", false], [1738, "index-1", false], [1739, "index-1", false], [1740, "index-0", false], [1746, "index-1", false], [1753, "index-0", false], [1772, "index-1", false], [1781, "index-1", false], [1782, "index-0", false], [1820, "index-0", false], [1821, "index-1", false], [1824, "index-1", false]], "thermal energy": [[1759, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1759, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[390, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1687, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1687, "term-THICKNESS-SCF", true]], "threading": [[1750, "index-6", false], [1750, "index-9", false]], "three_particle (dct)": [[1687, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[141, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1687, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1687, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1687, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1687, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1687, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[257, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[258, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[140, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[86, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[86, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[86, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[86, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[86, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1687, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1687, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[142, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transform", false]], "transform_ci_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_ci_integrals", false]], "transform_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_mcscf_integrals", false]], "transform_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei", false]], "transform_tei_first_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_first_half", false]], "transform_tei_second_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_second_half", false]], "transition state": [[1785, "index-2", false]], "translate() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.translate", false]], "translate_psi4 (cfour)": [[1687, "term-TRANSLATE_PSI4-CFOUR", true]], "transpose() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transpose", false]], "transpose() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose", false]], "transpose() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transpose", false]], "transpose_this() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose_this", false]], "tree_expansion_order (pe)": [[1687, "term-TREE_EXPANSION_ORDER-PE", true]], "tree_theta (pe)": [[1687, "term-TREE_THETA-PE", true]], "triples_algorithm (psimrcc)": [[1687, "term-TRIPLES_ALGORITHM-PSIMRCC", true]], "triples_diis (psimrcc)": [[1687, "term-TRIPLES_DIIS-PSIMRCC", true]], "triples_iabc_type (dfocc)": [[1687, "term-TRIPLES_IABC_TYPE-DFOCC", true]], "triples_low_memory (fnocc)": [[1687, "term-TRIPLES_LOW_MEMORY-FNOCC", true]], "triplet() (in module psi4.core)": [[259, "psi4.core.triplet", false]], "triplet() (psi4.core.matrix static method)": [[100, "psi4.core.Matrix.triplet", false]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1723, "psi4.driver.driver_cbs.CompositeComputer.trove", false]], "true_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.true_atomic_number", false]], "tstart() (in module psi4.core)": [[260, "psi4.core.tstart", false]], "tstop() (in module psi4.core)": [[261, "psi4.core.tstop", false]], "turn_on_actv (mcscf)": [[1687, "term-TURN_ON_ACTV-MCSCF", true]], "two-electron energy": [[1759, "psivar-TWO-ELECTRON-ENERGY", false]], "twobodyaoint (class in psi4.core)": [[143, "psi4.core.TwoBodyAOInt", false]], "twoel_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.twoel_Hx", false]], "twoel_hx_full() (psi4.core.rhf method)": [[128, "psi4.core.RHF.twoel_Hx_full", false]], "twoelectronint (class in psi4.core)": [[144, "psi4.core.TwoElectronInt", false]], "u (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.U", false]], "uhf (class in psi4.core)": [[145, "psi4.core.UHF", false]], "uhf_noons (scf)": [[1687, "term-UHF_NOONS-SCF", true]], "uksfunctions (class in psi4.core)": [[146, "psi4.core.UKSFunctions", false]], "uncp-corrected 2-body interaction energy": [[1759, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "unfreeze_dihedrals (optking)": [[1687, "term-UNFREEZE_DIHEDRALS-OPTKING", true]], "unify() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.unify", false]], "unify_part2() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.unify_part2", false]], "unit() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.unit", false]], "units": [[1816, "index-2", false]], "units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.units", false]], "unnormalized (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.Unnormalized", false]], "up (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.up", false]], "update (detci)": [[1687, "term-UPDATE-DETCI", true]], "update() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.update", false]], "update_density() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.update_density", false]], "update_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.update_geometry", false]], "update_geometry() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.update_geometry", false]], "update_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.update_orbitals", false]], "upgradehelper": [[279, "psi4.driver.UpgradeHelper", false]], "use_df_ints (fnocc)": [[1687, "term-USE_DF_INTS-FNOCC", true]], "use_spin_sym (psimrcc)": [[1687, "term-USE_SPIN_SYM-PSIMRCC", true]], "use_spin_symmetry (psimrcc)": [[1687, "term-USE_SPIN_SYMMETRY-PSIMRCC", true]], "using pcm": [[1786, 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1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1759, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1759, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1759, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1759, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1759, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1759, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1759, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1759, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1750, 10, 1, "-", "CONDA_PREFIX"], [1759, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1721, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1721, 10, 1, "-", "CRAY_ADD_RPATH"], [1759, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1759, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1759, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1759, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1759, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1759, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1759, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1759, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1759, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1759, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1759, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1759, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1759, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1759, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1759, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1759, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1759, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1759, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1759, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1759, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1759, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1759, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1759, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1759, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1759, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1759, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1759, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1759, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1759, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1759, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1759, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1759, 9, 1, "-", "ENTHALPY"], [1759, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1759, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1759, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1759, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1759, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1759, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1759, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1759, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1759, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1759, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1759, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1759, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1759, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1759, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1759, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1759, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1759, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1750, 10, 1, "-", "HOST"], [1759, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1759, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1759, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1759, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1759, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1759, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1759, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1759, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1759, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1759, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1759, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1759, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1759, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1759, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1759, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1721, 10, 1, "-", "MATH_ROOT"], [1759, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1759, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1759, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1759, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1759, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1759, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1759, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1759, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1759, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1759, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1750, 10, 1, "-", "MKL_NUM_THREADS"], [1721, 10, 1, "-", "MKL_ROOT"], [1733, 10, 1, "-", "MONTAGE"], [1759, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1759, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1759, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1759, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1759, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1759, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1759, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1759, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1759, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1759, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1759, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1759, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1759, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1759, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1759, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1759, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1759, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1759, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1759, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1759, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1759, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1759, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1759, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1759, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1759, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1759, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1759, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1759, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1759, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1759, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1759, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1759, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1759, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1759, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1759, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1759, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1759, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1759, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1750, 10, 1, "-", "OMP_NESTED"], [1750, 10, 1, "-", "OMP_NUM_THREADS"], [1759, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1759, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1759, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1759, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1759, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1759, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1750, 10, 1, "-", "PATH"], [1759, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1759, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1750, 10, 1, "-", "PSIDATADIR"], [1750, 10, 1, "-", "PSIPATH"], [1750, 10, 1, "-", "PSI_SCRATCH"], [1750, 10, 1, "-", "PYTHONPATH"], [1759, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1759, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1759, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1759, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1759, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1759, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1759, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1759, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1759, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1759, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1759, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1759, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1759, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1759, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1759, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1759, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1759, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1759, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1759, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1759, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1759, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1759, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1759, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1759, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1759, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1759, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1759, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1759, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1759, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1759, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1759, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1759, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1759, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1759, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1759, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1759, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1759, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1759, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1759, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1759, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1759, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1759, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1759, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1759, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1759, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1759, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1759, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1759, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1759, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1759, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1759, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1759, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1759, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1759, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1759, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1759, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1759, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1759, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1759, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1759, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1759, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1759, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1759, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1759, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1759, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1759, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1759, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1759, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1759, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1759, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1759, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1759, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1759, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1759, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1759, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN) - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL) - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN) - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], [1759, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL) - h TRANSITION"], [1759, 9, 1, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", "TD-fctl ROOT n (IN h) TOTAL ENERGY"], [1759, 9, 1, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", "TD-fctl ROOT n (h) TOTAL ENERGY"], [1759, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", "TD-fctl ROOT n TOTAL ENERGY"], [1759, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", "TD-fctl ROOT n TOTAL ENERGY - h TRANSITION"], [1759, 9, 1, "psivar-THERMAL-ENERGY", "THERMAL ENERGY"], [1759, 9, 1, "psivar-THERMAL-ENERGY-CORRECTION", "THERMAL ENERGY CORRECTION"], [1759, 9, 1, "psivar-TWO-ELECTRON-ENERGY", "TWO-ELECTRON ENERGY"], [1759, 9, 1, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", "UNCP-CORRECTED 2-BODY INTERACTION ENERGY"], [1733, 10, 1, "-", "VMDPATH"], [1759, 9, 1, "psivar-WIBERG-LOWDIN-INDICES", "WIBERG LOWDIN INDICES"], [1759, 9, 1, "psivar-ZAPTn-CORRELATION-ENERGY", "ZAPTn CORRELATION ENERGY"], [1759, 9, 1, "psivar-ZAPTn-TOTAL-ENERGY", "ZAPTn TOTAL ENERGY"], [1759, 9, 1, "psivar-ZERO-K-ENTHALPY", "ZERO K ENTHALPY"], [1759, 9, 1, "-", "ZPVE"], [1759, 9, 1, "psivar-T-CORRECTION-ENERGY", "[T] CORRECTION ENERGY"], [1759, 9, 1, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", "db_name DATABASE MEAN ABSOLUTE DEVIATION"], [1759, 9, 1, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", "db_name DATABASE MEAN SIGNED DEVIATION"], [1759, 9, 1, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", "db_name DATABASE ROOT-MEAN-SQUARE DEVIATION"], [1759, 9, 1, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", "fctl DISPERSION CORRECTION ENERGY"], [1759, 9, 1, "psivar-mtd-128-POLE", "mtd 128-POLE"], [1759, 9, 1, "psivar-mtd-32-POLE", "mtd 32-POLE"], [1759, 9, 1, "psivar-mtd-64-POLE", "mtd 64-POLE"], [1759, 9, 1, "psivar-mtd-DIPOLE", "mtd DIPOLE"], [1759, 9, 1, "psivar-mtd-HEXADECAPOLE", "mtd HEXADECAPOLE"], [1759, 9, 1, "psivar-mtd-OCTUPOLE", "mtd OCTUPOLE"], [1759, 9, 1, "psivar-mtd-QUADRUPOLE", "mtd QUADRUPOLE"]], "CUSTOM SCS-MP2": [[1759, 9, 1, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "CUSTOM SCS-OMP2": [[1759, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1759, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "MP2": [[1759, 9, 1, "psivar-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1759, 9, 1, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-MP2.5-SINGLES-ENERGY", "5 SINGLES ENERGY"], [1759, 9, 1, "psivar-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "NBODY (i, j, ..., k)@(a, b, ..": [[1759, 9, 1, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", ", c) TOTAL ENERGY"]], "OMP2": [[1759, 9, 1, "psivar-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1759, 9, 1, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", "5 REFERENCE CORRECTION ENERGY"], [1759, 9, 1, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1759, 9, 1, "psivar-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "SAPT EST": [[1759, 9, 1, "psivar-SAPT-EST.DISP22-T-ENERGY", "DISP22(T) ENERGY"], [1759, 9, 1, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", "DISP22(T)(CCD) ENERGY"]], "The total electronic gradient [E_h/a0] of the MP2 level of theory, ({nat}, 3)": [[1759, 9, 1, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", ""]], "psi4": [[2, 0, 1, "", "compare"], [2, 0, 1, "", "compare_cubes"], [2, 0, 1, "", "compare_fchkfiles"], [2, 0, 1, "", "compare_fcidumps"], [2, 0, 1, "", "compare_integers"], [2, 0, 1, "", "compare_matrices"], [2, 0, 1, "", "compare_moldenfiles"], [2, 0, 1, "", "compare_molrecs"], [2, 0, 1, "", "compare_recursive"], [2, 0, 1, "", "compare_values"], [2, 0, 1, "", "compare_vectors"], [2, 0, 1, "", "compare_wavefunctions"], [1810, 1, 0, "-", "core"], [1810, 1, 0, "-", "driver"], [1751, 0, 1, "", "set_output_file"], [1750, 11, 1, "cmdoption-psi4-a", "--append"], [1750, 11, 1, "cmdoption-psi4-h", "--help"], [1750, 11, 1, "cmdoption-psi4-inplace", "--inplace"], [1750, 11, 1, "cmdoption-psi4-i", "--input"], [1750, 11, 1, "cmdoption-psi4-loglevel", "--loglevel"], [1750, 11, 1, "cmdoption-psi4-memory", "--memory"], [1750, 11, 1, "cmdoption-psi4-m", "--messy"], [1750, 11, 1, "cmdoption-psi4-module", "--module"], [1750, 11, 1, "cmdoption-psi4-n", "--nthread"], [1750, 11, 1, "cmdoption-psi4-o", "--output"], [1750, 11, 1, "cmdoption-psi4-psiapi-path", "--psiapi-path"], [1750, 11, 1, "cmdoption-psi4-l", "--psidatadir"], [1750, 11, 1, "cmdoption-psi4-qcschema", "--qcschema"], [1750, 11, 1, "cmdoption-psi4-qcschema", "--schema"], [1750, 11, 1, "cmdoption-psi4-s", "--scratch"], [1750, 11, 1, "cmdoption-psi4-k", "--skip-preprocessor"], [1750, 11, 1, "cmdoption-psi4-t", "--test"], [1750, 11, 1, "cmdoption-psi4-v", "--verbose"], [1750, 11, 1, "cmdoption-psi4-V", "--version"], [1750, 11, 1, "cmdoption-psi4-V", "-V"], [1750, 11, 1, "cmdoption-psi4-a", "-a"], [1750, 11, 1, "cmdoption-psi4-h", "-h"], [1750, 11, 1, "cmdoption-psi4-i", "-i"], [1750, 11, 1, "cmdoption-psi4-k", "-k"], [1750, 11, 1, "cmdoption-psi4-l", "-l"], [1750, 11, 1, "cmdoption-psi4-m", "-m"], [1750, 11, 1, "cmdoption-psi4-n", "-n"], [1750, 11, 1, "cmdoption-psi4-o", "-o"], [1750, 11, 1, "cmdoption-psi4-s", "-s"], [1750, 11, 1, "cmdoption-psi4-t", "-t"], [1750, 11, 1, "cmdoption-psi4-v", "-v"]], "psi4.core": [[3, 2, 1, "", "AOShellCombinationsIterator"], [4, 2, 1, "", "AngularMomentumInt"], [5, 2, 1, "", "BSVec"], [6, 2, 1, "", "BasisExtents"], [7, 2, 1, "", "BasisFunctions"], [8, 2, 1, "", "BasisSet"], [9, 2, 1, "", "BlockOPoints"], [10, 2, 1, "", "BoysLocalizer"], [11, 2, 1, "", "CCWavefunction"], [12, 2, 1, "", "CIVector"], [13, 2, 1, "", "CIWavefunction"], [14, 2, 1, "", "CUHF"], [15, 2, 1, "", "CdSalc"], [16, 2, 1, "", "CdSalcList"], [17, 2, 1, "", "CharacterTable"], [18, 2, 1, "", "CompositeJK"], [19, 2, 1, "", "CorrelationFactor"], [20, 2, 1, "", "CorrelationTable"], [21, 2, 1, "", "CubeProperties"], [22, 0, 1, "", "DASUM"], [23, 0, 1, "", "DAXPY"], [24, 0, 1, "", "DCOPY"], [25, 0, 1, "", "DDOT"], [26, 2, 1, "", "DFEP2Wavefunction"], [27, 2, 1, "", "DFHelper"], [28, 2, 1, "", "DFSOMCSCF"], [29, 2, 1, "", "DFTGrid"], [30, 2, 1, "", "DFTensor"], [31, 0, 1, "", 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Scheurer", "Test Suite", "AOShellCombinationsIterator", "AngularMomentumInt", "BSVec", "BasisExtents", "BasisFunctions", "BasisSet", "BlockOPoints", "BoysLocalizer", "CCWavefunction", "CIVector", "CIWavefunction", "CUHF", "CdSalc", "CdSalcList", "CharacterTable", "CompositeJK", "CorrelationFactor", "CorrelationTable", "CubeProperties", "DASUM", "DAXPY", "DCOPY", "DDOT", "DFEP2Wavefunction", "DFHelper", "DFSOMCSCF", "DFTGrid", "DFTensor", "DGBMV", "DGEEV", "DGEMM", "DGEMV", "DGER", "DGETRF", "DGETRI", "DGETRS", "DNRM2", "DPOTRF", "DPOTRI", "DPOTRS", "DROT", "DSBMV", "DSCAL", "DSWAP", "DSYEV", "DSYMM", "DSYMV", "DSYR", "DSYR2", "DSYR2K", "DSYRK", "DSYSV", "DTBMV", "DTBSV", "DTRMM", "DTRMV", "DTRSM", "DTRSV", "Deriv", "DerivCalcType", "DiagonalizeOrder", "Dimension", "DipoleInt", "DirectJK", "DiskSOMCSCF", "Dispersion", "ERI", "ESPPropCalc", "ElectricFieldInt", "ElectrostaticInt", "ExternalPotential", "FCHKWriter", "FDDS_Dispersion", "FISAPT", "FittedSlaterCorrelationFactor", "FittingMetric", "FragmentType", "Functional", "GaussianShell", "GaussianType", "GeometryUnits", "HF", "IDAMAX", "IO", "IOManager", "IntVector", "IntegralFactory", "IntegralTransform", "IrreducibleRepresentation", "JK", "KineticInt", "LS_THC_Computer", "LaplaceDenominator", "LibXCFunctional", "Localizer", "MOSpace", "MOWriter", "Matrix", "MatrixFactory", "MemDFJK", "MintsHelper", "MoldenWriter", "MolecularGrid", "Molecule", "MultipoleInt", "MultipoleSymmetry", "NablaInt", "NumIntHelper", "OEProp", "OneBodyAOInt", "OneBodySOInt", "Options", "OrbitalSpace", "OverlapInt", "PMLocalizer", "PetiteList", "PointFunctions", "PointGroup", "PotentialInt", "PrimitiveType", "Prop", "ProtoIntVector", "ProtoVector", "PsiReturnType", "QuadrupoleInt", "RHF", "RKSFunctions", "ROHF", "SADGuess", "SOBasisSet", "SOMCSCF", "SalcComponent", "SaveType", "ShellInfo", "Slice", "SuperFunctional", "SymmetryOperation", "TLaplaceDenominator", "ThreeCenterOverlapInt", "TracelessQuadrupoleInt", "TwoBodyAOInt", "TwoElectronInt", "UHF", "UKSFunctions", "VBase", "Vector", "Vector3", "Wavefunction", "array_variable", "array_variables", "be_quiet", "benchmark_blas1", "benchmark_blas2", "benchmark_blas3", "benchmark_disk", "benchmark_integrals", "benchmark_math", "ccdensity", "ccenergy", "cceom", "cchbar", "cclambda", "ccresponse", "cctransort", "cctriples", "clean", "clean_options", "clean_timers", "clean_variables", "close_outfile", "dct", "del_array_variable", "del_scalar_variable", "del_variable", "detci", "dfmp2", "dfocc", "dlpno", "dmrg", "doublet", "dpdbuf4", "dpdfile2", "dummy_einsums", "dummy_integratorxx", "fcidump_tei_helper", "finalize", "flush_outfile", "fnocc", "get_active_molecule", "get_array_variable", "get_array_variables", "get_datadir", "get_global_option", "get_global_option_list", "get_local_option", "get_memory", "get_num_threads", "get_option", "get_options", "get_output_file", "get_variable", "get_variables", "get_writer_file_prefix", "git_version", "has_array_variable", "has_global_option_changed", "has_local_option_changed", "has_option_changed", "has_scalar_variable", "has_variable", "initialize", "libint2_solid_harmonics_ordering", "mcscf", "mrcc_generate_input", "mrcc_load_densities", "occ", "option_exists_in_module", "options_to_python", "outfile_name", "plugin", "plugin_close", "plugin_close_all", "plugin_load", "prepare_options_for_module", "print_global_options", "print_options", "print_out", "print_variables", "psi_top_srcdir", "psimrcc", "psio_entry", "reopen_outfile", "revoke_global_option_changed", "revoke_local_option_changed", "sapt", "scalar_variable", "scalar_variables", "scatter", "scfgrad", "scfhess", "set_active_molecule", "set_array_variable", "set_datadir", "set_global_option", "set_global_option_python", "set_local_option", "set_local_option_python", "set_memory_bytes", "set_num_threads", "set_output_file", "set_psi_file_prefix", "set_scalar_variable", "set_variable", "test_matrix_dpd_interface", "timer_off", "timer_on", "triplet", "tstart", "tstop", "variable", "variables", "version", "AtomicComputer", "ConvergenceError", "EmpiricalDispersion", "ManagedMethodError", "MissingMethodError", "OptimizationConvergenceError", "ParsingError", "PastureRequiredError", "PsiException", "QMMM", "QMMMbohr", "SCFConvergenceError", "TDSCFConvergenceError", "TestComparisonError", "UpgradeHelper", "ValidationError", "activate", "banner", "basis_helper", "cbs", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "create_plugin", "cubeprop", "docs_table_link", "dynamic_variable_bind", "energies_from_fcidump", "energy", "fchk", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "freq", "frequencies", "frequency", "gdma", "geometry", "get_memory", "gradient", "hessian", "ipi_broker", "levenshtein", "libint2_configuration", "libint2_print_out", "mdi_run", "message_box", "molden", "molecule_get_attr", "molecule_set_attr", "oeprop", "opt", "optimize", "optimize_geometric", "DIIS", "Gaussian", "InPsight", "Lineshape", "Lorentzian", "OptionState", "OptionsState", "OptionsStateCM", "SolverEngine", "all_casings", "array_to_matrix", "banner", "basis_helper", "block_diagonal_array", "cg_solver", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "cubeprop", "davidson_solver", "docs_table_link", "drop_duplicates", "energies_from_fcidump", "expand_psivars", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "format_molecule_for_input", "format_options_for_input", "free_atom_volumes", "get_memory", "get_psifile", "getattr_ignorecase", "hamiltonian_solver", "hold_options_state", "import_ignorecase", "kwargs_lower", "levenshtein", "libint2_configuration", "libint2_print_out", "mat2arr", "message_box", "oeprop", "pcm_helper", "plump_qcvar", "prefactor_ecd", "prefactor_opa", "prepare_options_for_modules", "prepare_options_for_set_options", "provenance_stamp", "sanitize_method", "set_memory", "set_module_options", "set_options", "spectrum", "state_to_atomicinput", "pcm_helper", "process_input", "prop", "properties", "compare_vibinfos", "filter_nonvib", "filter_omega_to_real", "harmonic_analysis", "hessian_symmetrize", "print_molden_vibs", "print_vibs", "thermo", "sanitize_method", "sanitize_name", "scf_helper", "scf_wavefunction_factory", "set_memory", "set_module_options", "set_options", "tdscf", "vibanal_wfn", "Appendices", "<span class=\"xref std std-term\">CUTOFF_AMPS_PRINT</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">KIND</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">NUM_GUESSES</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">OPDM_ONLY</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITE_NOS</span>", "<span class=\"xref std std-term\">XI</span>", "<span class=\"xref std std-term\">XI_CONNECT</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">BCCD_MAXITER</span>", "<span class=\"xref std std-term\">BRUECKNER_ORBS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CC_OS_SCALE</span>", "<span class=\"xref std std-term\">CC_SS_SCALE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FORCE_RESTART</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_ALGORITHM</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">DOI_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DOI_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DOI_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DOI_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">LS_THC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">LS_THC_DF</span>", "<span class=\"xref std std-term\">LS_THC_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">LS_THC_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_S_EPSILON</span>", "<span class=\"xref std std-term\">LS_THC_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">CUSTOM_COORDS</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_ALL_DIHEDRALS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">UNFREEZE_DIHEDRALS</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "BAKERJCC96", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. Pritchard", "Embarrassing Parallelism", "TDSCF: Time-dependent Hartree\u2013Fock and density-functional theory", "Test Suite and Sample Inputs", "Vibrational and Thermochemical Analysis", "Psithon Tutorial: Using <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> as an Executable"], "titleterms": {"": [884, 1210, 1718, 1721, 1729, 1742, 1757, 1768, 1820], "0": 1804, "1": [1716, 1753, 1821], "2": 1771, "2nd": 1739, "3": 1771, "3rc1": 1771, "4": [1677, 1678, 1679, 1680, 1682, 1683, 1684, 1685, 1689, 1690, 1691, 1714, 1715, 1716, 1718, 1719, 1720, 1721, 1722, 1725, 1726, 1729, 1731, 1741, 1747, 1760, 1761, 1763, 1764, 1780, 1782, 1785, 1787, 1793, 1797, 1798, 1799, 1800, 1801, 1802, 1807, 1808, 1810, 1813, 1816, 1821, 1827], "8": 1771, "82": [1677, 1678, 1679, 1680, 1682, 1683, 1684, 1685, 1689, 1690, 1691, 1714, 1715, 1716, 1718, 1719, 1720, 1722, 1725, 1726, 1729, 1731, 1741, 1747, 1760, 1761, 1763, 1764, 1780, 1782, 1785, 1787, 1793, 1797, 1798, 1799, 1800, 1801, 1802, 1807, 1808, 1810, 1813, 1816, 1821, 1827], "9": 1721, "A": [1737, 1745, 1753, 1756, 1758, 1761, 1767, 1788, 1790, 1812, 1819, 1820], "And": 1788, "For": 1788, "In": 1713, "NO": 1820, "No": 1721, "On": [1721, 1768, 1771], "One": [1782, 1800], "Ons": 1768, "The": [1747, 1800, 1808, 1820], "_py_falsestruct": 1721, "a24": [1675, 1735], "a24alt": [1675, 1735], "a_ras3_max": [782, 1210], "ab": 0, "abcd": [428, 465, 512, 535, 1199, 1200, 1202, 1203], "absorpt": 1824, "access": [1754, 1755, 1781, 1800], "acen": [1675, 1735], "activ": [281, 1102, 1221], "active_nat_orb": [1065, 1219], "actual": 1721, "ad": [2, 1734, 1753, 1768, 1792, 1802], "adapt": [1764, 1820], "adc": [0, 1197, 1651, 1764], "adcc": [0, 1], "add": [1721, 1768, 1807], "add_auxiliary_bond": [1226, 1298], "addit": 1753, "address": 1800, "advanc": [1740, 1753, 1754, 1781, 1816, 1820], "after": 1721, "aio_cphf": [1230, 1435, 1820], "aio_df_int": [1230, 1436, 1820], "aka": 400, "algebra": [1764, 1793], "algorithm": [726, 1208, 1210, 1226, 1231, 1722, 1725, 1736, 1739, 1740, 1754, 1764, 1781, 1800, 1821], "alia": 1817, "alias": 1723, "all": [1741, 1770, 1784], "all_cas": 330, "allow": 1782, "alpha": [1687, 1759], "altern": [1210, 1722], "an": [1731, 1768, 1769, 1815, 1827], "ana": 1731, "anaconda": 1721, "analysi": [1753, 1755, 1758, 1811, 1821, 1826, 1827], "analyt": [1722, 1725, 1736, 1739, 1740, 1754, 1764, 1781], "analyz": [429, 536, 1199, 1203], "angular": 1721, "angularmomentumint": 4, "annot": 1769, "annual": 1771, "anticip": 1771, "ao": 1793, "ao_basi": [411, 430, 513, 557, 727, 1198, 1199, 1202, 1204, 1208], "aoshellcombinationsiter": 3, "api": [1723, 1751, 1755, 1777, 1810], "appendic": 400, "appli": 1730, "approach": 1791, "approv": 1721, "approxim": [1754, 1820], "ar": 1721, "arbitrari": 1738, "arrai": 1780, "array_to_matrix": 331, "array_vari": [151, 152], "ascii": 1769, "assembl": 1771, "atom": 1816, "atomiccomput": 265, "author": 1771, "auto": 1804, "auxiliari": [1677, 1691, 1715], "auxiliary_bond_factor": [1226, 1299], "avail": [0, 1678, 1679, 1680, 1682, 1683, 1684, 1685, 1690, 1714, 1716, 1721, 1735, 1741, 1764, 1785, 1800, 1821], "avg_stat": [783, 1210], "avg_weight": [784, 1210], "avoid": 1807, "b": [1745, 1822], "b_ras3_max": [785, 1210], "bakerjcc93": [1675, 1735], "bakerjcc96": [1675, 1735], "banner": [282, 332], "base": [1737, 1746, 1793], "basi": [400, 898, 1195, 1212, 1223, 1230, 1231, 1437, 1484, 1677, 1690, 1713, 1714, 1715, 1716, 1721, 1723, 1754, 1777, 1782, 1815, 1819, 1820], "basic": [1675, 1725, 1735, 1738, 1754, 1772, 1780, 1781, 1782, 1785, 1811, 1820, 1827], "basis_guess": [1231, 1485], "basis_help": [283, 333], "basis_relativist": [1103, 1221, 1819], "basisext": 6, "basisfunct": 7, "basisset": 8, "bbi": [1675, 1735], "bccd_maxit": [431, 1199], "be_quiet": 153, "befor": 1771, "bench": [1104, 1221], "bench12": [1675, 1735], "benchmark_blas1": 154, "benchmark_blas2": 155, "benchmark_blas3": 156, "benchmark_disk": 157, "benchmark_integr": 158, "benchmark_math": 159, "bendazzoli": [786, 1210], "bibliographi": 1717, "binari": [1719, 1720, 1731, 1791], "bla": [1721, 1793], "block": 1800, "block_diagonal_arrai": 334, "blockopoint": 9, "bodi": [1742, 1754], "bond": [1816, 1820], "border": [1228, 1378, 1732], "border_n_redist": [1228, 1379, 1732], "border_redist_ord": [1228, 1380, 1732], "border_redist_pol": [1228, 1381, 1732], "border_rmin": [1228, 1382, 1732], "border_rmin_unit": [1228, 1383, 1732], "border_typ": [1228, 1384, 1732], "bot": 1805, "boysloc": 10, "bra": 1800, "branch": 1771, "brianqc": [1693, 1718], "brianqc_en": [1105, 1221, 1718], "broken": 1821, "brueckner_maxit": [1066, 1219], "brueckner_orbs_r_converg": [432, 1199, 1725], "bsvec": 5, "buffer": 1800, "bug": 1799, "build": [1, 1718, 1719, 1721, 1729, 1732, 1737, 1745, 1748, 1756, 1758, 1765, 1766, 1767, 1768, 1771, 1786, 1822], "built": [1713, 1718], "bump": 1769, "c": [1721, 1797, 1804, 1806, 1810], "cachelevel": [412, 433, 466, 507, 514, 537, 558, 728, 1198, 1199, 1200, 1201, 1202, 1203, 1204, 1208, 1225, 1242, 1725], "cachetyp": [434, 467, 1199, 1200, 1725], "calc_s_squar": [787, 1210], "calcul": [0, 1725, 1811, 1814, 1821, 1827], "call": [1793, 1800], "cannot": 1769, "canonicalize_active_favg": [1171, 1222], "canonicalize_inactive_favg": [1172, 1222], "capabl": [0, 1721, 1722, 1725, 1729, 1739, 1740, 1754, 1763, 1764, 1781, 1782], "cart_hess_read": [1226, 1300], "cartesian_sym_toler": [1226, 1301], "case": 2, "caviti": 1737, "cb": 284, "cc": [788, 1210, 1725, 1764, 1768], "cc3_follow_root": [468, 1200], "cc_a_ras3_max": [789, 1210], "cc_b_ras3_max": [790, 1210], "cc_diis_max_vec": [911, 1213], "cc_diis_min_vec": [912, 1213], "cc_ex_level": [791, 1210], "cc_fix_extern": [792, 1210], "cc_fix_external_min": [793, 1210], "cc_lambda": [913, 1213], "cc_macro": [794, 1210], "cc_maxit": [914, 1213, 1225, 1243], "cc_mix": [795, 1210], "cc_num_thread": [435, 469, 564, 1199, 1200, 1205, 1229, 1397], "cc_os_scal": [436, 1199], "cc_ras34_max": [796, 1210], "cc_ras3_max": [797, 1210], "cc_ras4_max": [798, 1210], "cc_scale_o": [1067, 1219, 1754], "cc_scale_ss": [1068, 1219, 1754], "cc_ss_scale": [437, 1199], "cc_time": [1069, 1219, 1754], "cc_type": [1106, 1221, 1722, 1725, 1739, 1740, 1754, 1764, 1781], "cc_update_ep": [799, 1210], "cc_val_ex_level": [800, 1210], "cc_variat": [801, 1210], "cc_vecs_read": [802, 1210], "cc_vecs_writ": [803, 1210], "ccd_e_converg": [1230, 1438], "ccd_maxit": [1230, 1439], "ccd_t_converg": [1230, 1440], "ccdensiti": [160, 1198], "ccenergi": [161, 1199, 1652, 1725], "cceom": [162, 1200], "cchbar": [163, 1201], "ccl_energi": [1225, 1244], "cclambda": [164, 1202], "cclr": 1725, "ccrespons": [165, 1203], "ccsd": 1754, "cctransort": [166, 1204], "cctripl": [167, 1205], "ccwavefunct": 11, "cdsalc": 15, "cdsalclist": 16, "center": 1820, "cepa": 1754, "cepa_level": [1070, 1219, 1754], "cepa_no_singl": [1071, 1219, 1754], "cepa_os_scal": [1225, 1245], "cepa_sos_scal": [1225, 1246], "cepa_ss_scal": [1225, 1247], "cepa_typ": [1225, 1248], "cfour": [1206, 1653, 1694, 1726], "cfour_abcdtyp": [568, 1206], "cfour_active_orbi": [569, 1206], "cfour_anh_algorithm": [570, 1206], "cfour_anh_deriv": [571, 1206], "cfour_anh_steps": [572, 1206], "cfour_anh_symmetri": [573, 1206], "cfour_anharmon": [574, 1206], "cfour_ao_ladd": [575, 1206], "cfour_av_scf": [576, 1206], "cfour_basi": [577, 1206], "cfour_bruck_conv": [578, 1206], "cfour_brueckn": [579, 1206], "cfour_cache_rec": [580, 1206], "cfour_calc_level": [581, 1206], "cfour_cc_conv": [582, 1206], "cfour_cc_expord": [583, 1206], "cfour_cc_extrapol": [584, 1206], "cfour_cc_maxcyc": [585, 1206], "cfour_cc_program": [586, 1206], "cfour_charg": [587, 1206], "cfour_cis_conv": [588, 1206], "cfour_continuum": [589, 1206], "cfour_contract": [590, 1206], "cfour_converg": [591, 1206], "cfour_coordin": [592, 1206], "cfour_core_orbit": [593, 1206], "cfour_cphf_conv": [594, 1206], "cfour_cphf_maxcyc": [595, 1206], "cfour_curvilinear": [596, 1206], "cfour_dboc": [597, 1206], "cfour_dct": [598, 1206], "cfour_deriv_level": [599, 1206], "cfour_diff_typ": [600, 1206], "cfour_dropmo": [601, 1206], "cfour_ecp": [602, 1206], "cfour_eigenvector": [603, 1206], "cfour_el_anharm": [604, 1206], "cfour_eom_nonit": [605, 1206], "cfour_estate_conv": [606, 1206], "cfour_estate_maxcyc": [607, 1206], "cfour_estate_prop": [608, 1206], "cfour_estate_sym": [609, 1206], "cfour_estate_tran": [610, 1206], "cfour_eval_hess": [611, 1206], "cfour_excit": [612, 613, 1206], "cfour_fc_field": [614, 1206], "cfour_fd_calctyp": [615, 1206], "cfour_fd_irrep": [616, 1206], "cfour_fd_project": [617, 1206], "cfour_fd_steps": [618, 1206], "cfour_fd_usegroup": [619, 1206], "cfour_file_recsiz": [620, 1206], "cfour_file_strip": [621, 1206], "cfour_finite_perturb": [622, 1206], "cfour_fock": [623, 1206], "cfour_freq_algorithm": [624, 1206], "cfour_frozen_cor": [625, 1206], "cfour_frozen_virt": [626, 1206], "cfour_gamma_abcd": [627, 1206], "cfour_genbas_1": [628, 1206], "cfour_genbas_2": [629, 1206], "cfour_genbas_3": [630, 1206], "cfour_genbas_4": [631, 1206], "cfour_geo_conv": [632, 1206], "cfour_geo_maxcyc": [633, 1206], "cfour_geo_maxstep": [634, 1206], "cfour_geo_method": [635, 1206], "cfour_giao": [636, 1206], "cfour_grid": [637, 1206], "cfour_guess": [638, 1206], "cfour_hbar": [639, 1206], "cfour_hfstabl": [640, 1206], "cfour_incor": [641, 1206], "cfour_input_mrcc": [642, 1206], "cfour_integr": [643, 1206], "cfour_joda_print": [644, 1206], "cfour_lineq_conv": [645, 1206], "cfour_lineq_maxci": [646, 1206], "cfour_lineq_typ": [647, 1206], "cfour_lock_orbocc": [648, 1206], "cfour_maxstep": [649, 1206], "cfour_mem_unit": [650, 1206], "cfour_memory_s": [651, 1206], "cfour_method": [652, 1206], "cfour_mrcc": [653, 1206], "cfour_multipl": [654, 1206], "cfour_nacoupl": [655, 1206], "cfour_negev": [656, 1206], "cfour_newnorm": [657, 1206], "cfour_nonhf": [658, 1206], "cfour_ntop_tamp": [659, 1206], "cfour_occup": [660, 1206], "cfour_omp_num_thread": [661, 1206], "cfour_open": [662, 1206], "cfour_opt_maxcyc": [663, 1206], "cfour_orbit": [664, 1206], "cfour_pert_orb": [665, 1206], "cfour_point": [666, 1206], "cfour_print": [667, 1206], "cfour_prop": [669, 1206], "cfour_prop_integr": [668, 1206], "cfour_qrhf_gener": [670, 1206], "cfour_qrhf_orbit": [671, 1206], "cfour_qrhfgu": [672, 1206], "cfour_raman_int": [673, 1206], "cfour_raman_orb": [674, 1206], "cfour_rdo": [675, 1206], "cfour_refer": [676, 1206], "cfour_relativist": [677, 1206], "cfour_relax_den": [678, 1206], "cfour_res_raman": [679, 1206], "cfour_restart_cc": [680, 1206], "cfour_rot_evec": [681, 1206], "cfour_save_int": [682, 1206], "cfour_scale_on": [683, 1206], "cfour_scf_conv": [684, 1206], "cfour_scf_damp": [685, 1206], "cfour_scf_expord": [686, 1206], "cfour_scf_expstart": [687, 1206], "cfour_scf_extrapol": [688, 1206], "cfour_scf_maxcyc": [689, 1206], "cfour_sd_field": [690, 1206], "cfour_spher": [691, 1206], "cfour_spin_flip": [692, 1206], "cfour_spin_orbit": [693, 1206], "cfour_spin_sc": [694, 1206], "cfour_spinrot": [695, 1206], "cfour_subgroup": [696, 1206], "cfour_sym_check": [697, 1206], "cfour_symmetri": [698, 1206], "cfour_t3_extrapol": [699, 1206], "cfour_tamp_sum": [700, 1206], "cfour_thermochemistri": [701, 1206], "cfour_trans_inv": [702, 1206], "cfour_treat_pert": [703, 1206], "cfour_uij_threshold": [704, 1206], "cfour_unit": [705, 1206], "cfour_update_hessian": [706, 1206], "cfour_vibr": [707, 1206], "cfour_vtran": [708, 1206], "cfour_xfield": [709, 1206], "cfour_xform_tol": [710, 1206], "cfour_yfield": [711, 1206], "cfour_zfield": [712, 1206], "cg_solver": 335, "chang": [1771, 1785, 1800], "channel": 1771, "charact": 1769, "charactert": 17, "charg": [1753, 1820], "chemistri": 1760, "chemps2": [1695, 1729], "choleski": [915, 1213], "cholesky_toler": [916, 1072, 1213, 1219, 1231, 1486, 1754], "choos": 1721, "ci": [1738, 1764, 1788], "ci_dii": [1173, 1222], "ci_file_start": [804, 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1231, 1574], "local_method": [444, 482, 521, 545, 1199, 1200, 1202, 1203], "local_pairdef": [445, 522, 546, 1199, 1202, 1203], "local_precondition": [483, 1200], "local_use_ghost": [1061, 1218], "local_weakp": [446, 484, 523, 547, 1199, 1200, 1202, 1203], "locat": 1769, "lock_singlet": [1229, 1415], "log": 1721, "logo": 1721, "long": [1684, 1741, 1771], "loop": 1815, "lorentzian": 325, "low": 1793, "ls_thc_basis_toler": [1131, 1221], "ls_thc_comput": 94, "ls_thc_df": [1132, 1221], "ls_thc_pruning_schem": [1133, 1221], "ls_thc_radial_point": [1134, 1221], "ls_thc_s_epsilon": [1135, 1221], "ls_thc_spherical_point": [1136, 1221], "ls_thc_weights_toler": [1137, 1221], "lse": [839, 1210], "lse_collaps": [840, 1210], "lse_toler": [841, 1210], "lto": 1729, "m": [1, 1732, 1737, 1745, 1767, 1775], "mac": 1721, "macport": 1721, "made": [1811, 1827], "madmp2_sleep": [906, 1212], "mai": 1721, "make_shar": 1804, "manag": [1719, 1769, 1770, 1792], "managedmethoderror": 268, "mani": 1754, "manipul": 1740, "manual": [1730, 1747, 1760], "map": 1747, "mark": 1804, "marqu": 1767, "mat2arr": 363, "mat_num_column_print": [1138, 1221], "math": 1747, "matric": 1210, "matrix": [100, 1729, 1764, 1780, 1793], "matrixfactori": 101, "max_attempt": [1231, 1575], "max_ccd_diisvec": [1230, 1456], "max_disp_g_converg": [1226, 1349], "max_energy_g_converg": [1226, 1350], "max_force_g_converg": [1226, 1351], "max_mem_buf": [1231, 1576], "max_mograd_converg": [930, 1213, 1225, 1266, 1781], "max_num_vec": [1, 404, 842, 1197, 1210], "max_radial_mo": [1139, 1221], "maxit": [1, 405, 447, 485, 524, 548, 741, 1062, 1080, 1185, 1197, 1199, 1200, 1202, 1203, 1208, 1218, 1219, 1222, 1228, 1229, 1230, 1231, 1391, 1416, 1457, 1577, 1725, 1732, 1754, 1820], "mbis_d_converg": [1140, 1221], "mbis_maxit": [1141, 1221], "mbis_pruning_schem": [1142, 1221], "mbis_radial_point": [1143, 1221], "mbis_spherical_point": [1144, 1221], "mcscf": [215, 1210, 1222, 1665, 1772], "mcscf_algorithm": [843, 1210, 1772], 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\ No newline at end of file
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details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1739, "id18"]], "CdSalc": [[15, null]], "CdSalcList": [[16, null]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1743, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1817, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1837, "charge-transfer-in-sapt"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1781, "citing-psifour"]], "Class Inheritance Diagram": [[1827, "class-inheritance-diagram"], [1827, "id3"], [1827, "id6"]], "Classes": [[1827, "classes"], [1827, "id2"], [1827, "id5"]], "Clone from GitHub Repository": [[1737, "clone-from-github-repository"]], "Code style conventions": [[1747, null]], "Collect documentation snapshot": [[1788, "collect-documentation-snapshot"]], "Collect new authors": [[1788, "collect-new-authors"]], "Command Line Options": [[1767, "command-line-options"]], "Comments": [[1804, "comments"]], "Community Code of Conduct": [[1811, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1738, null]], "Complete Basis Set": [[1740, null]], "Completely new methods": [[1823, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1837, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1748, null]], "Conda Binary Package": [[1737, "conda-binary-package"]], "Configuration Interaction (CI)": [[1781, "configuration-interaction-ci"]], "Configuring and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Binary": [[1736, "configuring-and-installing-psifour-via-binary"]], "Configuring, Building, and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Source": [[1736, "configuring-building-and-installing-psifour-via-source"]], "Constrained Optimizations": [[1802, "constrained-optimizations"]], "Contents:": [[1777, null]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1798, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Control": [[1226, "convergence-control"]], "Convergence Control/Stabilization": [[1231, "convergence-control-stabilization"]], "Convergence Criteria": [[1802, "convergence-criteria"]], "Convergence Problems": [[1798, "convergence-problems"]], "Convergence Stabilization": [[1838, "convergence-stabilization"]], "Convergence and Algorithm Defaults": [[1838, "convergence-and-algorithm-defaults"]], "ConvergenceError": [[266, null]], "Coordinates": [[1833, "coordinates"]], "CorrelationFactor": [[19, null]], "CorrelationTable": [[20, null]], "Coupled Cluster (CC)": [[1781, "coupled-cluster-cc"]], "Coupled electron pair approximation": [[1771, "coupled-electron-pair-approximation"]], "Creating New Plugins": [[1808, null]], "Creating a Database": [[1835, null]], "Creating a New Plugin": [[1808, "creating-a-new-plugin"]], "Creating a New Plugin Using a Conda Pre-compiled Binary": [[1808, "creating-a-new-plugin-using-a-conda-pre-compiled-binary"]], "Cube File Visualization with PyMol": [[1770, "cube-file-visualization-with-pymol"]], "CubeProperties": [[21, null]], "Cubeprop Tasks": [[1750, "cubeprop-tasks"]], "Current coupled cluster capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1742, "id14"]], "Current one-electron property capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1799, "id2"]], "Customization: Adding Simple Extensions": [[1751, null]], "DAMPING_CONVERGENCE": [[1231, "damping-convergence"], [1498, null]], "DAMPING_FACTOR_INDUCED": [[1228, "damping-factor-induced"], [1387, null]], "DAMPING_FACTOR_MULTIPOLE": [[1228, "damping-factor-multipole"], [1388, null]], "DAMPING_PERCENTAGE": [[729, null], [1208, "damping-percentage"], [1229, "damping-percentage"], [1231, "damping-percentage"], [1405, null], [1499, null]], "DAMP_INDUCED": [[1228, "damp-induced"], [1385, null]], "DAMP_MULTIPOLE": [[1228, "damp-multipole"], [1386, null]], "DASUM": [[22, null]], "DAXPY": [[23, null]], "DCOPY": [[24, null]], "DCT": [[1208, null], [1671, null]], "DCT: Density Cumulant Theory": [[1753, null]], "DCT_FUNCTIONAL": [[730, null], [1208, "dct-functional"]], "DCT_GUESS": [[731, null], [1208, "dct-guess"]], "DCT_TYPE": [[732, null], [1208, "dct-type"]], "DDOT": [[25, null]], "DDX": [[1117, null], [1209, null], 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Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1742, "id15"]], "Detailed capabilities of the DFMP2 module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1756, "id7"]], "Detailed capabilities of the FNOCC module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1771, "id13"]], "Detailed capabilities of the SCF module. \u201c\u2713\u201d runs analytically. 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"fisapt-exch-parperp"]], "FISAPT_FSAPT_EXCH_SCALE": [[1042, null], [1218, "fisapt-fsapt-exch-scale"]], "FISAPT_FSAPT_FILEPATH": [[1043, null], [1218, "fisapt-fsapt-filepath"]], "FISAPT_FSAPT_IND_RESPONSE": [[1044, null], [1218, "fisapt-fsapt-ind-response"]], "FISAPT_FSAPT_IND_SCALE": [[1045, null], [1218, "fisapt-fsapt-ind-scale"]], "FISAPT_FSSAPT_FILEPATH": [[1046, null], [1218, "fisapt-fssapt-filepath"]], "FISAPT_LINK_ASSIGNMENT": [[1047, null], [1218, "fisapt-link-assignment"]], "FISAPT_LINK_ORTHO": [[1048, null], [1218, "fisapt-link-ortho"], [1770, "fisapt-link-ortho"]], "FISAPT_LINK_SELECTION": [[1049, null], [1218, "fisapt-link-selection"]], "FISAPT_MANUAL_LINKS": [[1050, null], [1218, "fisapt-manual-links"]], "FISAPT_MEM_SAFETY_FACTOR": [[1051, null], [1218, "fisapt-mem-safety-factor"]], "FISAPT_PLOT_FILEPATH": [[1052, null], [1218, "fisapt-plot-filepath"]], "FLEXIBLE_G_CONVERGENCE": [[1226, "flexible-g-convergence"], [1312, null]], "FNOCC": [[1219, null], [1680, null]], "FNOCC: 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and when to not apply code styling to your contributions": [[1747, "how-and-when-to-not-apply-code-styling-to-your-contributions"]], "How do I retain specific Psi4 scratch files": [[1738, "how-do-i-retain-specific-psi4-scratch-files"]], "How to Ignore the Bots": [[1822, "how-to-ignore-the-bots"]], "How to build and install Psi4, the compact version": [[1738, "how-to-build-and-install-psi4-the-compact-version"]], "How to build, test, and install Psi4, in detail": [[1738, "how-to-build-test-and-install-psi4-in-detail"]], "How to bump a version": [[1786, "how-to-bump-a-version"]], "How to call BLAS & LAPACK in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1810, "how-to-call-blas-lapack-in-psifour"]], "How to choose the compilation directory, {objdir}": [[1738, "how-to-choose-the-compilation-directory-objdir"]], "How to compile for debugging": [[1738, "how-to-compile-for-debugging"]], "How to configure 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"how-to-configure-python-for-building-psi4"]], "How to configure a Psi4 build on Cray": [[1738, "how-to-configure-a-psi4-build-on-cray"]], "How to configure adcc for building Psi4": [[1, "how-to-configure-adcc-for-building-psi4"]], "How to configure code to use high angular momentum basis sets": [[1738, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to configure ddx for building Psi4": [[1754, "how-to-configure-ddx-for-building-psi4"]], "How to configure dkh for building Psi4": [[1762, "how-to-configure-dkh-for-building-psi4"]], "How to configure gau2gridfor building Psi4": [[1773, "how-to-configure-gau2gridfor-building-psi4"]], "How to configure gdma for building Psi4": [[1775, "how-to-configure-gdma-for-building-psi4"]], "How to configure libefp for building Psi4": [[1782, "how-to-configure-libefp-for-building-psi4"]], "How to configure paths for PsiAPI": [[1738, "how-to-configure-paths-for-psiapi"]], "How to configure simint for building Psi4": [[1839, "how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1786, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1786, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1786, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1738, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1786, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1786, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1746, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1738, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1738, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1738, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1738, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1738, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1747, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1747, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1748, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1748, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1748, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1738, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1785, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1786, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1785, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1810, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1810, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1810, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1738, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1737, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1738, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1738, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1738, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1738, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1738, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1738, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1738, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1738, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1747, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1738, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1738, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1738, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1738, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1738, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1738, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1738, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1738, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1748, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1738, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1738, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1738, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1785, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1748, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1738, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1738, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1738, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1810, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1758, "hybrid"]], "Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1700, null], [1758, "id5"]], "I-SAPT: A Representative Example": [[1770, "i-sapt-a-representative-example"]], "I. 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"autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__custom_coords", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_all_dihedrals", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__unfreeze_dihedrals", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", "autodir_options_c/scf__cosx_spherical_points_final", "autodir_options_c/scf__cosx_spherical_points_initial", "autodir_options_c/scf__d_convergence", "autodir_options_c/scf__damping_convergence", "autodir_options_c/scf__damping_percentage", "autodir_options_c/scf__df_basis_guess", "autodir_options_c/scf__df_basis_sad", "autodir_options_c/scf__df_basis_scf", "autodir_options_c/scf__df_bump_r0", "autodir_options_c/scf__df_bump_r1", "autodir_options_c/scf__df_domains", "autodir_options_c/scf__df_fitting_condition", "autodir_options_c/scf__df_ints_io", "autodir_options_c/scf__df_ints_num_threads", "autodir_options_c/scf__df_metric", "autodir_options_c/scf__df_scf_guess", "autodir_options_c/scf__df_theta", "autodir_options_c/scf__dft_alpha", "autodir_options_c/scf__dft_alpha_c", "autodir_options_c/scf__dft_basis_tolerance", "autodir_options_c/scf__dft_block_max_points", "autodir_options_c/scf__dft_block_max_radius", "autodir_options_c/scf__dft_block_min_points", "autodir_options_c/scf__dft_block_scheme", "autodir_options_c/scf__dft_bs_radius_alpha", "autodir_options_c/scf__dft_density_tolerance", "autodir_options_c/scf__dft_dispersion_parameters", "autodir_options_c/scf__dft_grac_alpha", "autodir_options_c/scf__dft_grac_beta", "autodir_options_c/scf__dft_grac_c_func", "autodir_options_c/scf__dft_grac_shift", "autodir_options_c/scf__dft_grac_x_func", "autodir_options_c/scf__dft_grid_name", "autodir_options_c/scf__dft_nuclear_scheme", "autodir_options_c/scf__dft_omega", "autodir_options_c/scf__dft_omega_c", "autodir_options_c/scf__dft_pruning_alpha", "autodir_options_c/scf__dft_pruning_scheme", "autodir_options_c/scf__dft_radial_points", "autodir_options_c/scf__dft_radial_scheme", "autodir_options_c/scf__dft_remove_distant_points", "autodir_options_c/scf__dft_spherical_points", "autodir_options_c/scf__dft_spherical_scheme", "autodir_options_c/scf__dft_v2_rho_cutoff", "autodir_options_c/scf__dft_vv10_b", "autodir_options_c/scf__dft_vv10_c", "autodir_options_c/scf__dft_vv10_postscf", "autodir_options_c/scf__dft_vv10_radial_points", "autodir_options_c/scf__dft_vv10_rho_cutoff", "autodir_options_c/scf__dft_vv10_spherical_points", "autodir_options_c/scf__dft_weights_tolerance", "autodir_options_c/scf__diis", "autodir_options_c/scf__diis_max_vecs", "autodir_options_c/scf__diis_min_vecs", "autodir_options_c/scf__diis_rms_error", "autodir_options_c/scf__diis_start", "autodir_options_c/scf__distributed_matrix", "autodir_options_c/scf__e_convergence", "autodir_options_c/scf__extern", "autodir_options_c/scf__fail_on_maxiter", "autodir_options_c/scf__follow_step_increment", "autodir_options_c/scf__follow_step_scale", "autodir_options_c/scf__frac_diis", "autodir_options_c/scf__frac_load", "autodir_options_c/scf__frac_occ", "autodir_options_c/scf__frac_renormalize", "autodir_options_c/scf__frac_start", "autodir_options_c/scf__frac_val", "autodir_options_c/scf__guess", "autodir_options_c/scf__guess_mix", "autodir_options_c/scf__guess_persist", "autodir_options_c/scf__incfock", "autodir_options_c/scf__incfock_convergence", "autodir_options_c/scf__incfock_full_fock_every", "autodir_options_c/scf__ints_tolerance", "autodir_options_c/scf__level_shift", "autodir_options_c/scf__level_shift_cutoff", "autodir_options_c/scf__link_ints_tolerance", "autodir_options_c/scf__local_convergence", "autodir_options_c/scf__local_maxiter", "autodir_options_c/scf__max_attempts", "autodir_options_c/scf__max_mem_buf", "autodir_options_c/scf__maxiter", "autodir_options_c/scf__molden_write", "autodir_options_c/scf__mom_occ", "autodir_options_c/scf__mom_start", "autodir_options_c/scf__mom_vir", "autodir_options_c/scf__nl_dispersion_parameters", "autodir_options_c/scf__onepot_grid_read", "autodir_options_c/scf__orbitals_write", "autodir_options_c/scf__parallel", "autodir_options_c/scf__perturb_dipole", "autodir_options_c/scf__perturb_h", "autodir_options_c/scf__perturb_magnitude", "autodir_options_c/scf__perturb_with", "autodir_options_c/scf__phi_points", "autodir_options_c/scf__pk_all_nonsym", "autodir_options_c/scf__pk_max_buckets", "autodir_options_c/scf__print_basis", "autodir_options_c/scf__print_mos", "autodir_options_c/scf__process_grid", "autodir_options_c/scf__qchf", "autodir_options_c/scf__r_points", "autodir_options_c/scf__radius", "autodir_options_c/scf__reference", "autodir_options_c/scf__s_cholesky_tolerance", "autodir_options_c/scf__s_orthogonalization", "autodir_options_c/scf__s_tolerance", "autodir_options_c/scf__sad_chol_tolerance", "autodir_options_c/scf__sad_d_convergence", "autodir_options_c/scf__sad_e_convergence", "autodir_options_c/scf__sad_frac_occ", "autodir_options_c/scf__sad_maxiter", "autodir_options_c/scf__sad_print", "autodir_options_c/scf__sad_scf_type", "autodir_options_c/scf__sad_spin_average", "autodir_options_c/scf__sapgau_basis", "autodir_options_c/scf__sapt", "autodir_options_c/scf__save_jk", "autodir_options_c/scf__save_uhf_nos", "autodir_options_c/scf__scf_initial_accelerator", "autodir_options_c/scf__scf_initial_finish_diis_transition", "autodir_options_c/scf__scf_initial_start_diis_transition", "autodir_options_c/scf__scf_mem_safety_factor", "autodir_options_c/scf__scf_properties", "autodir_options_c/scf__scf_subtype", "autodir_options_c/scf__snlink_basis_tolerance", "autodir_options_c/scf__snlink_density_tolerance", "autodir_options_c/scf__snlink_force_cartesian", "autodir_options_c/scf__snlink_gpu_mem", "autodir_options_c/scf__snlink_grid_batch_size", "autodir_options_c/scf__snlink_integrator_kernel", "autodir_options_c/scf__snlink_ints_tolerance", "autodir_options_c/scf__snlink_load_balancer_kernel", "autodir_options_c/scf__snlink_lwd_kernel", "autodir_options_c/scf__snlink_mol_weights_kernel", "autodir_options_c/scf__snlink_pruning_scheme", "autodir_options_c/scf__snlink_radial_points", "autodir_options_c/scf__snlink_radial_scheme", "autodir_options_c/scf__snlink_reduction_kernel", "autodir_options_c/scf__snlink_spherical_points", "autodir_options_c/scf__snlink_use_debug_grid", "autodir_options_c/scf__snlink_use_gpu", "autodir_options_c/scf__solver_convergence", "autodir_options_c/scf__solver_maxiter", "autodir_options_c/scf__solver_n_guess", "autodir_options_c/scf__solver_n_root", "autodir_options_c/scf__solver_roots_per_irrep", "autodir_options_c/scf__soscf", "autodir_options_c/scf__soscf_conv", "autodir_options_c/scf__soscf_max_iter", "autodir_options_c/scf__soscf_min_iter", "autodir_options_c/scf__soscf_print", "autodir_options_c/scf__soscf_start_convergence", "autodir_options_c/scf__stability_analysis", "autodir_options_c/scf__tdscf_coeff_cutoff", "autodir_options_c/scf__tdscf_guess", 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(psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1704, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[282, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1755, "index-2", false], [1771, "index-2", false]], "basis (dfmp2)": [[1704, "term-BASIS-DFMP2", true]], "basis (mints)": [[1704, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1704, "term-BASIS-SAPT", true]], "basis (scf)": [[1704, "term-BASIS-SCF", true]], "basis set": [[1730, "index-0", false], [1730, "index-1", false], [1730, "index-2", false], [1730, "index-3", false], [1731, "index-0", false], [1732, "index-0", false], [1733, "index-0", false], [1740, "index-0", false], [1740, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[147, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1704, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1704, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[92, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1776, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1704, "term-BCCD_MAXITER-CCENERGY", true]], "be_quiet() (in module psi4.core)": [[153, "psi4.core.be_quiet", false]], "begin() (psi4.core.slice method)": [[137, "psi4.core.Slice.begin", false]], "bench (globals)": [[1704, "term-BENCH-GLOBALS", true]], "benchmark_blas1() (in module psi4.core)": [[154, "psi4.core.benchmark_blas1", false]], "benchmark_blas2() (in module psi4.core)": [[155, "psi4.core.benchmark_blas2", false]], "benchmark_blas3() (in module psi4.core)": [[156, "psi4.core.benchmark_blas3", false]], "benchmark_disk() (in module psi4.core)": [[157, "psi4.core.benchmark_disk", false]], "benchmark_integrals() (in module psi4.core)": [[158, "psi4.core.benchmark_integrals", false]], "benchmark_math() (in module psi4.core)": [[159, "psi4.core.benchmark_math", false]], "bendazzoli (detci)": [[1704, "term-BENDAZZOLI-DETCI", true]], "beta_corr_to_pitzer() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.beta_corr_to_pitzer", false]], "beta_orbital_space() 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"bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bohr_per_ang", false]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bond_width", false]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonding_alpha", false]], "bonds (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonds", false]], "borbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.bOrbs", false]], "border (pe)": [[1704, "term-BORDER-PE", true]], "border_n_redist (pe)": [[1704, "term-BORDER_N_REDIST-PE", true]], "border_redist_order (pe)": [[1704, "term-BORDER_REDIST_ORDER-PE", true]], "border_redist_pol (pe)": [[1704, "term-BORDER_REDIST_POL-PE", true]], "border_rmin (pe)": [[1704, "term-BORDER_RMIN-PE", true]], "border_rmin_unit (pe)": [[1704, "term-BORDER_RMIN_UNIT-PE", true]], "border_type (pe)": [[1704, "term-BORDER_TYPE-PE", true]], "boyslocalizer (class 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false]], "bsvec (class in psi4.core)": [[5, "psi4.core.BSVec", false]], "bugs": [[1781, "index-3", false]], "build() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.build", false]], "build() (psi4.core.dftgrid static method)": [[29, "psi4.core.DFTGrid.build", false]], "build() (psi4.core.dispersion static method)": [[68, "psi4.core.Dispersion.build", false]], "build() (psi4.core.jk static method)": [[92, "psi4.core.JK.build", false]], "build() (psi4.core.localizer static method)": [[97, "psi4.core.Localizer.build", false]], "build() (psi4.core.vbase static method)": [[147, "psi4.core.VBase.build", false]], "build() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.build", false]], "build_base() (psi4.core.functional static method)": [[80, "psi4.core.Functional.build_base", false]], "build_cabs_space() (psi4.core.orbitalspace static method)": [[115, "psi4.core.OrbitalSpace.build_cabs_space", false]], "build_collocation_cache() (psi4.core.vbase method)": [[147, "psi4.core.VBase.build_collocation_cache", false]], "build_jk() (psi4.core.jk static method)": [[92, "psi4.core.JK.build_JK", false]], "build_ri_space() (psi4.core.orbitalspace static method)": [[115, "psi4.core.OrbitalSpace.build_ri_space", false]], "build_sad() (psi4.core.sadguess static method)": [[131, "psi4.core.SADGuess.build_SAD", false]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.build_tasks", false]], "c() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.C", false]], "c1_deep_copy() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.c1_deep_copy", false]], "c1_deep_copy() 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false]], "c_functionals() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1704, "term-CACHELEVEL-CCDENSITY", true]], "cachelevel (ccenergy)": [[1704, "term-CACHELEVEL-CCENERGY", true]], "cachelevel (cceom)": [[1704, "term-CACHELEVEL-CCEOM", true]], "cachelevel (cchbar)": [[1704, "term-CACHELEVEL-CCHBAR", true]], "cachelevel (cclambda)": [[1704, "term-CACHELEVEL-CCLAMBDA", true]], "cachelevel (ccresponse)": [[1704, "term-CACHELEVEL-CCRESPONSE", true]], "cachelevel (cctransort)": [[1704, "term-CACHELEVEL-CCTRANSORT", true]], "cachelevel (dct)": [[1704, "term-CACHELEVEL-DCT", true]], "cachelevel (occ)": [[1704, "term-CACHELEVEL-OCC", true]], "cachetype (ccenergy)": [[1704, "term-CACHETYPE-CCENERGY", true]], "cachetype (cceom)": [[1704, "term-CACHETYPE-CCEOM", true]], "calc_s_squared (detci)": [[1704, "term-CALC_S_SQUARED-DETCI", true]], "canonicalize_active_favg (mcscf)": [[1704, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1704, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1704, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1704, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1776, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1776, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1776, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1776, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[284, "index-0", false], [1740, "index-0", false], [1740, "index-1", false], [1740, "index-2", false], [1740, "index-3", false], [1741, "index-0", false]], "cbs() (in module psi4.driver)": [[284, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1742, "index-0", false]], "cc (detci)": [[1704, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1776, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1776, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1776, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1776, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1776, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1776, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1776, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1776, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1776, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1776, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1776, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1776, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1776, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1776, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1776, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1776, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1776, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1776, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1776, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1742, "index-0", false]], "cc2 alpha-alpha pair energies": [[1776, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1776, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1776, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1776, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1776, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1776, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1776, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1776, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1776, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1776, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1776, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1776, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1776, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1776, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1776, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1776, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1776, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1704, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1776, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1776, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1704, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1704, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1704, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1704, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1704, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1704, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1704, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1704, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1704, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1704, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1704, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1704, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1704, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1704, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1704, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1704, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1704, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1704, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1704, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1704, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1704, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1704, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1704, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1704, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1704, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1704, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1704, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1704, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1704, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1704, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1776, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1776, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1776, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1776, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1776, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1776, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1704, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1704, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1704, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[160, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[161, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[162, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[163, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1704, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[164, "psi4.core.cclambda", false]], "ccn correlation energy": [[1776, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1776, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1776, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1776, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1776, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1776, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1776, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1776, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-A-LEN", false]], "ccname root m (in h) -> root n (in i) einstein b (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-B-LEN", false]], "ccname root m (in h) -> root n (in i) oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1776, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1776, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1776, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1776, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1776, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1776, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1776, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1776, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1776, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1776, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1776, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1776, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1776, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1776, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1776, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1776, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1776, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1776, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[165, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1776, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1776, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1776, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1776, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1776, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1776, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1776, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1776, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1776, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1776, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1776, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1776, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1776, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1776, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1776, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1776, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1776, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1776, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1771, "index-1", false]], "ccsd(t) correlation energy": [[1776, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1776, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1776, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1776, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1776, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1776, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1776, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1776, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1776, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1776, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1776, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1776, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1776, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1776, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1776, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1776, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1776, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1776, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1776, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1776, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1776, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1776, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1776, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1776, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1776, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1776, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1776, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1776, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[166, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[167, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1771, "index-1", false]], "cepa(0) correlation energy": [[1776, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1776, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1776, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1776, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1776, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1776, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1776, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1776, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1776, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1776, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1776, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1776, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1776, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1776, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1776, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1776, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1776, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1776, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1776, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1776, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1776, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1776, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1776, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1776, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1776, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1776, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1704, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1704, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1704, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1704, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1704, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1704, "term-CEPA_TYPE-OCC", true]], "cfour": [[1743, "index-0", false]], "cfour error code": [[1776, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1704, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1704, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1704, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1704, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1704, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1704, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1704, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1704, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1704, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1704, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1704, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1704, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1704, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1704, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1704, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1704, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1704, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1704, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1704, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1704, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1704, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1704, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1704, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1704, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1704, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1704, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1704, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1704, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1704, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1704, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1704, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1704, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1704, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1704, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1704, "term-CFOUR_ECP-CFOUR", true]], "cfour_eigenvector (cfour)": [[1704, "term-CFOUR_EIGENVECTOR-CFOUR", true]], "cfour_el_anharm (cfour)": [[1704, "term-CFOUR_EL_ANHARM-CFOUR", true]], "cfour_eom_nonit (cfour)": [[1704, "term-CFOUR_EOM_NONIT-CFOUR", true]], "cfour_estate_conv (cfour)": [[1704, "term-CFOUR_ESTATE_CONV-CFOUR", true]], "cfour_estate_maxcyc (cfour)": [[1704, "term-CFOUR_ESTATE_MAXCYC-CFOUR", true]], "cfour_estate_prop (cfour)": [[1704, "term-CFOUR_ESTATE_PROP-CFOUR", true]], "cfour_estate_sym (cfour)": [[1704, "term-CFOUR_ESTATE_SYM-CFOUR", true]], "cfour_estate_trans (cfour)": [[1704, "term-CFOUR_ESTATE_TRANS-CFOUR", true]], "cfour_eval_hess (cfour)": [[1704, "term-CFOUR_EVAL_HESS-CFOUR", true]], "cfour_excitation (cfour)": [[1704, "term-CFOUR_EXCITATION-CFOUR", true]], "cfour_excite (cfour)": [[1704, "term-CFOUR_EXCITE-CFOUR", true]], "cfour_fc_field (cfour)": [[1704, "term-CFOUR_FC_FIELD-CFOUR", true]], "cfour_fd_calctype (cfour)": [[1704, "term-CFOUR_FD_CALCTYPE-CFOUR", true]], "cfour_fd_irreps (cfour)": [[1704, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1704, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1704, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1704, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1704, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1704, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1704, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1704, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1704, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1704, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1704, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1704, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1704, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1704, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1704, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1704, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1704, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1704, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1704, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1704, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1704, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1704, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1704, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1704, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1704, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1704, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1704, "term-CFOUR_INPUT_MRCC-CFOUR", true]], 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"term-CFOUR_NEGEVAL-CFOUR", true]], "cfour_newnorm (cfour)": [[1704, "term-CFOUR_NEWNORM-CFOUR", true]], "cfour_nonhf (cfour)": [[1704, "term-CFOUR_NONHF-CFOUR", true]], "cfour_ntop_tamp (cfour)": [[1704, "term-CFOUR_NTOP_TAMP-CFOUR", true]], "cfour_occupation (cfour)": [[1704, "term-CFOUR_OCCUPATION-CFOUR", true]], "cfour_omp_num_threads (cfour)": [[1704, "term-CFOUR_OMP_NUM_THREADS-CFOUR", true]], "cfour_open-shell (cfour)": [[1704, "term-CFOUR_OPEN-SHELL-CFOUR", true]], "cfour_opt_maxcyc (cfour)": [[1704, "term-CFOUR_OPT_MAXCYC-CFOUR", true]], "cfour_orbitals (cfour)": [[1704, "term-CFOUR_ORBITALS-CFOUR", true]], "cfour_pert_orb (cfour)": [[1704, "term-CFOUR_PERT_ORB-CFOUR", true]], "cfour_points (cfour)": [[1704, "term-CFOUR_POINTS-CFOUR", true]], "cfour_print (cfour)": [[1704, "term-CFOUR_PRINT-CFOUR", true]], "cfour_prop_integral (cfour)": [[1704, "term-CFOUR_PROP_INTEGRAL-CFOUR", true]], "cfour_props (cfour)": [[1704, "term-CFOUR_PROPS-CFOUR", true]], "cfour_qrhf_general (cfour)": [[1704, "term-CFOUR_QRHF_GENERAL-CFOUR", true]], "cfour_qrhf_orbital (cfour)": [[1704, "term-CFOUR_QRHF_ORBITAL-CFOUR", true]], "cfour_qrhfgues (cfour)": [[1704, "term-CFOUR_QRHFGUES-CFOUR", true]], "cfour_raman_int (cfour)": [[1704, "term-CFOUR_RAMAN_INT-CFOUR", true]], "cfour_raman_orb (cfour)": [[1704, "term-CFOUR_RAMAN_ORB-CFOUR", true]], "cfour_rdo (cfour)": [[1704, "term-CFOUR_RDO-CFOUR", true]], "cfour_reference (cfour)": [[1704, "term-CFOUR_REFERENCE-CFOUR", true]], "cfour_relativistic (cfour)": [[1704, "term-CFOUR_RELATIVISTIC-CFOUR", true]], "cfour_relax_dens (cfour)": [[1704, "term-CFOUR_RELAX_DENS-CFOUR", true]], "cfour_res_raman (cfour)": [[1704, "term-CFOUR_RES_RAMAN-CFOUR", true]], "cfour_restart_cc (cfour)": [[1704, "term-CFOUR_RESTART_CC-CFOUR", true]], "cfour_rot_evec (cfour)": [[1704, "term-CFOUR_ROT_EVEC-CFOUR", true]], "cfour_save_ints (cfour)": [[1704, "term-CFOUR_SAVE_INTS-CFOUR", true]], "cfour_scale_on (cfour)": [[1704, "term-CFOUR_SCALE_ON-CFOUR", 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"term-CFOUR_XFORM_TOL-CFOUR", true]], "cfour_yfield (cfour)": [[1704, "term-CFOUR_YFIELD-CFOUR", true]], "cfour_zfield (cfour)": [[1704, "term-CFOUR_ZFIELD-CFOUR", true]], "cg_solver() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.cg_solver", false]], "chain_dot() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.chain_dot", false]], "change_file_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.change_file_namespace", false]], "char_table() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.char_table", false]], "character() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.character", false]], "charactertable (class in psi4.core)": [[17, "psi4.core.CharacterTable", false]], "charge": [[1833, "index-2", false]], "charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.charge", false]], "charge-transfer": [[1837, "index-4", false]], "check_phases() (psi4.core.hf method)": [[84, "psi4.core.HF.check_phases", false]], "chemps2": [[1746, "index-0", false]], "cholesky (dfocc)": [[1704, "term-CHOLESKY-DFOCC", true]], "cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.cholesky_factorize", false]], "cholesky_tolerance (dfocc)": [[1704, "term-CHOLESKY_TOLERANCE-DFOCC", true]], "cholesky_tolerance (fnocc)": [[1704, "term-CHOLESKY_TOLERANCE-FNOCC", true]], "cholesky_tolerance (scf)": [[1704, "term-CHOLESKY_TOLERANCE-SCF", true]], "ci": [[1755, "index-0", false], [1755, "index-1", false], [1755, "index-2", false], [1755, "index-3", false], [1755, "index-4", false], [1755, "index-5", false], [1789, "index-2", false]], "ci correlation energy": [[1776, "psivar-CI-CORRELATION-ENERGY", false]], "ci dipole": [[1776, "psivar-CI-DIPOLE", false]], "ci quadrupole": [[1776, "psivar-CI-QUADRUPOLE", false]], "ci root n -> root m dipole": [[1776, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", false]], "ci root n -> root m quadrupole": [[1776, 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"term-CI_TYPE-GLOBALS", true]], "ciblks_print (detci)": [[1704, "term-CIBLKS_PRINT-DETCI", true]], "cin correlation energy": [[1776, "psivar-CIn-CORRELATION-ENERGY", false]], "cin total energy": [[1776, "psivar-CIn-TOTAL-ENERGY", false]], "cisd correlation energy": [[1776, "psivar-CISD-CORRELATION-ENERGY", false]], "cisd dipole": [[1776, "psivar-CISD-DIPOLE", false]], "cisd doubles energy": [[1776, "psivar-CISD-DOUBLES-ENERGY", false]], "cisd opposite-spin correlation energy": [[1776, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cisd quadrupole": [[1776, "psivar-CISD-QUADRUPOLE", false]], "cisd same-spin correlation energy": [[1776, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", false]], "cisd singles energy": [[1776, "psivar-CISD-SINGLES-ENERGY", false]], "cisd total energy": [[1776, "psivar-CISD-TOTAL-ENERGY", false]], "cisdt correlation energy": [[1776, "psivar-CISDT-CORRELATION-ENERGY", false]], "cisdt total energy": [[1776, "psivar-CISDT-TOTAL-ENERGY", false]], "cisdtq correlation energy": [[1776, "psivar-CISDTQ-CORRELATION-ENERGY", false]], "cisdtq total energy": [[1776, "psivar-CISDTQ-TOTAL-ENERGY", false]], "citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.citation", false]], "citation() (psi4.core.functional method)": [[80, "psi4.core.Functional.citation", false]], "citation() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.citation", false]], "civector (class in psi4.core)": [[12, "psi4.core.CIVector", false]], "ciwavefunction (class in psi4.core)": [[13, "psi4.core.CIWavefunction", false]], "ck() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.Ck", false]], "clean() (in module psi4.core)": [[168, "psi4.core.clean", false]], "clean_options() (in module psi4.core)": [[169, "psi4.core.clean_options", false]], "clean_timers() (in module psi4.core)": [[170, "psi4.core.clean_timers", false]], "clean_variables() (in module psi4.core)": [[171, "psi4.core.clean_variables", false]], "cleanup_ci() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.cleanup_ci", false]], "cleanup_dpd() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.cleanup_dpd", false]], "clear() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.clear", false]], "clear() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.clear", false]], "clear() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.clear", false]], "clear_all() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.clear_all", false]], "clear_collocation_cache() (psi4.core.vbase method)": [[147, "psi4.core.VBase.clear_collocation_cache", false]], "clear_d_prev() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.clear_D_prev", false]], "clear_external_cpscf_perturbations() (psi4.core.hf method)": [[84, "psi4.core.HF.clear_external_cpscf_perturbations", false]], "clear_external_potentials() (psi4.core.hf method)": [[84, "psi4.core.HF.clear_external_potentials", false]], "clear_spaces() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.clear_spaces", false]], "clone() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.clone", false]], "clone() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.clone", false]], "clone() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.clone", false]], "clone() (psi4.core.vector method)": [[148, "psi4.core.Vector.clone", false]], "close() (psi4.core.io method)": [[86, "psi4.core.IO.close", false]], "close_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.close_io_files", false]], "close_outfile() (in module psi4.core)": [[172, "psi4.core.close_outfile", false]], "coef (psi4.core.salccomponent attribute)": [[134, "psi4.core.SalcComponent.coef", false]], "coef() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.coef", false]], "coldim() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.coldim", false]], "coldim() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.coldim", false]], "coldim() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.coldim", false]], "collapse_size (detci)": [[1704, "term-COLLAPSE_SIZE-DETCI", true]], "collapse_with_last (cceom)": [[1704, "term-COLLAPSE_WITH_LAST-CCEOM", true]], "collapse_with_last_cc3 (cceom)": [[1704, "term-COLLAPSE_WITH_LAST_CC3-CCEOM", true]], "collocation": [[1773, "index-0", false]], "collocation_size() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.collocation_size", false]], "colors (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.colors", false]], "cols() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.cols", false]], "com_fixed() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.com_fixed", false]], "comment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.comment", false]], "compare() (in module psi4)": [[2, "psi4.compare", false]], "compare_cubes() (in module psi4)": [[2, "psi4.compare_cubes", false]], "compare_fchkfiles() (in module psi4)": [[2, "psi4.compare_fchkfiles", false]], "compare_fchkfiles() (in module psi4.driver)": [[285, "psi4.driver.compare_fchkfiles", false]], "compare_fchkfiles() (in module psi4.driver.p4util)": [[336, "psi4.driver.p4util.compare_fchkfiles", false]], "compare_fcidumps() (in module psi4)": [[2, "psi4.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver)": [[286, "psi4.driver.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver.p4util)": [[337, "psi4.driver.p4util.compare_fcidumps", false]], "compare_integers() (in module psi4)": [[2, "psi4.compare_integers", false]], "compare_matrices() (in module psi4)": [[2, "psi4.compare_matrices", false]], "compare_moldenfiles() (in module psi4)": [[2, "psi4.compare_moldenfiles", false]], "compare_moldenfiles() (in module psi4.driver)": [[287, "psi4.driver.compare_moldenfiles", false]], "compare_moldenfiles() (in module psi4.driver.p4util)": [[338, "psi4.driver.p4util.compare_moldenfiles", false]], "compare_molrecs() (in module psi4)": [[2, "psi4.compare_molrecs", false]], "compare_recursive() (in module psi4)": [[2, "psi4.compare_recursive", false]], "compare_values() (in module psi4)": [[2, "psi4.compare_values", false]], "compare_vectors() (in module psi4)": [[2, "psi4.compare_vectors", false]], "compare_vibinfos() (in module psi4.driver.qcdb.vib)": [[383, "psi4.driver.qcdb.vib.compare_vibinfos", false]], "compare_vibinfos() (in module qcdb)": [[2, "qcdb.compare_vibinfos", false]], "compare_wavefunctions() (in module psi4)": [[2, "psi4.compare_wavefunctions", false]], "compilers": [[1781, "index-1", false]], "compiling": [[1738, "index-0", false]], "complete_basis_set()": [[1740, "index-0", false]], "complex_tolerance (cceom)": [[1704, "term-COMPLEX_TOLERANCE-CCEOM", true]], "compositejk (class in psi4.core)": [[18, "psi4.core.CompositeJK", false]], "comput_s2 (dfocc)": [[1704, "term-COMPUT_S2-DFOCC", true]], "compute() 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"psi4.core.ESPPropCalc.compute_esp_over_grid_in_memory", false]], "compute_field_over_grid_in_memory() (psi4.core.esppropcalc method)": [[70, "psi4.core.ESPPropCalc.compute_field_over_grid_in_memory", false]], "compute_fock_like_matrices() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.compute_fock_like_matrices", false]], "compute_functional() (psi4.core.functional method)": [[80, "psi4.core.Functional.compute_functional", false]], "compute_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.compute_functional", false]], "compute_functions() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.compute_functions", false]], "compute_fvpi() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_fvpi", false]], "compute_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.compute_gradient", false]], "compute_gradient() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_gradient", false]], 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(psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.compute_list", false]], "compute_mp4_triples (fnocc)": [[1704, "term-COMPUTE_MP4_TRIPLES-FNOCC", true]], "compute_orbital_gradient() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.rhf method)": [[128, "psi4.core.RHF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.uhf method)": [[145, "psi4.core.UHF.compute_orbital_gradient", false]], "compute_orbitals() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.compute_orbitals", false]], "compute_phi() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.compute_phi", false]], "compute_points() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.compute_points", false]], "compute_products() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.compute_products", false]], "compute_properties() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.compute_properties", false]], "compute_q() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.compute_Q", false]], "compute_qk() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.compute_Qk", false]], "compute_shell() (psi4.core.onebodyaoint method)": [[112, "psi4.core.OneBodyAOInt.compute_shell", false]], "compute_shell() (psi4.core.threecenteroverlapint method)": [[141, "psi4.core.ThreeCenterOverlapInt.compute_shell", false]], "compute_shell() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.compute_shell", false]], "compute_shell() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.compute_shell", false]], "compute_spin_contamination() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_spin_contamination", false]], "compute_state_transfer() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.compute_state_transfer", false]], "compute_thc_factorization() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.compute_thc_factorization", false]], "compute_triples (fnocc)": [[1704, "term-COMPUTE_TRIPLES-FNOCC", true]], "compute_v() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_V", false]], "compute_vx() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_Vx", false]], "computed (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.computed", false]], "computed_shells_per_iter() (psi4.core.jk method)": [[92, "psi4.core.JK.computed_shells_per_iter", false]], "computeexternexterninteraction() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeExternExternInteraction", false]], "computenuclearenergy() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1738, "index-20", false], [1738, "index-22", false], [1767, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1704, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1802, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1781, "index-3", false]], "continuum solvation": [[1754, "index-0", false], [1803, "index-0", false]], "converged (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1802, "index-3", false]], "convergenceerror": [[266, "psi4.driver.ConvergenceError", false]], "coord() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.coord", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[148, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[288, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[339, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module 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"correlationfactor (class in psi4.core)": [[19, "psi4.core.CorrelationFactor", false]], "correlationtable (class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1754, "index-0", false]], "cosx_basis_tolerance (scf)": [[1704, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1704, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1704, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1704, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1704, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1704, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1704, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1704, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1704, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1704, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1833, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1794, "index-1", false]], "coupled_induction (sapt)": [[1704, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1704, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1704, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1704, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1794, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1794, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1776, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1704, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1704, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1704, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1704, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1749, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1738, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1738, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[108, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[101, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[290, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.Ct", false]], "cube": [[1750, "index-0", false]], "cubeprop": [[1750, "index-0", false]], "cubeprop() (in module psi4.driver)": [[291, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1704, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1704, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1704, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1704, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1704, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in psi4.core)": [[21, "psi4.core.CubeProperties", false]], "cubic_basis_tolerance (fisapt)": [[1704, "term-CUBIC_BASIS_TOLERANCE-FISAPT", true]], "cubic_basis_tolerance (globals)": [[1704, "term-CUBIC_BASIS_TOLERANCE-GLOBALS", true]], "cubic_block_max_points (fisapt)": [[1704, "term-CUBIC_BLOCK_MAX_POINTS-FISAPT", true]], "cubic_block_max_points (globals)": [[1704, "term-CUBIC_BLOCK_MAX_POINTS-GLOBALS", true]], "cubic_grid_overage (fisapt)": [[1704, "term-CUBIC_GRID_OVERAGE-FISAPT", true]], "cubic_grid_overage (globals)": [[1704, "term-CUBIC_GRID_OVERAGE-GLOBALS", true]], "cubic_grid_spacing (fisapt)": [[1704, "term-CUBIC_GRID_SPACING-FISAPT", true]], "cubic_grid_spacing (globals)": [[1704, "term-CUBIC_GRID_SPACING-GLOBALS", true]], "cuhf (class in psi4.core)": [[14, "psi4.core.CUHF", false]], "current correlation energy": [[1776, "psivar-CURRENT-CORRELATION-ENERGY", false]], "current 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"psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1776, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1776, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1776, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1776, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1776, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1776, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1776, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1776, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1776, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1776, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1776, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "custom_coords (optking)": [[1704, "term-CUSTOM_COORDS-OPTKING", true]], "cutoff (dfocc)": [[1704, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1704, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1704, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[92, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1704, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1704, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1704, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1704, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1838, "index-2", false]], "damping_convergence (scf)": [[1704, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1704, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1704, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1704, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1704, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1704, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[84, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[147, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1752, "index-0", false], [1752, "index-3", false], [1752, "index-4", false], [1835, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1752, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1752, "index-0", false]], "db() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1776, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1776, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1776, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1753, "index-0", false]], "dct lambda energy": [[1776, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1776, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1776, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1776, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[173, "psi4.core.dct", false]], "dct_functional (dct)": [[1704, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1704, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1704, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1776, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1754, "index-0", false]], "ddx (globals)": [[1704, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1704, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1704, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1704, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1704, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1704, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1704, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1704, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1704, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1704, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1704, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1704, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1704, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1704, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1704, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1704, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1704, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1704, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1704, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1704, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1704, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1704, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1704, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1704, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1704, "term-DEBUG-CPHF", true]], "debug (globals)": [[1704, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1732, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[174, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[175, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[176, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1704, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1740, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1704, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1704, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1756, "index-0", false], [1771, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1704, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1704, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[80, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1776, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[177, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1704, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1771, "index-1", false]], "df-mp2": [[1756, "index-0", false], [1756, "index-1", false]], "df_basis_cc (fnocc)": [[1704, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1704, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1704, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1704, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1704, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1704, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1704, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1704, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1704, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1704, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1704, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1704, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1704, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1704, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1704, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1704, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1704, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1704, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1704, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1704, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1704, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1704, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1704, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1704, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1704, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[102, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[178, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1704, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1704, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1704, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[179, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1757, "index-0", false], [1758, "index-0", false], [1784, "index-0", false]], "dft dipole gradient": [[1776, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1776, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1776, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1776, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1776, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1776, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1776, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1704, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1704, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1704, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1704, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1704, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1704, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1704, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1704, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1704, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1704, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1704, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1704, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1704, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1704, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1704, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1704, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1704, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1704, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1704, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1704, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1704, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1704, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1704, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1704, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1704, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1704, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1704, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1704, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1704, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1704, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1704, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1704, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1704, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1704, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1759, "index-0", false]], "dftd4": [[1759, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1760, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1704, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1704, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1704, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1704, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1838, "index-2", false]], "diis (ccenergy)": [[1704, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1704, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1704, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1704, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1704, "term-DIIS-MCSCF", true]], "diis (scf)": [[1704, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[84, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[128, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1704, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1704, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1704, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1704, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1704, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1704, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1704, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1704, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1704, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1704, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1704, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1704, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1704, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1704, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1704, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1704, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1704, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[148, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[148, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1704, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1704, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1704, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1776, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1775, "index-0", false]], "distributed_matrix (scf)": [[1704, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1762, "index-0", false]], "dkh_order (globals)": [[1704, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[180, "psi4.core.dlpno", false]], "dlpno-mp2": [[1763, "index-0", false], [1763, "index-1", false]], "dlpno_algorithm (dlpno)": [[1704, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1704, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1704, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1775, "index-0", false]], "dma distributed multipoles": [[1776, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1776, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[181, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1776, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1776, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1704, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1704, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1704, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1704, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1704, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1704, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1704, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1704, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1704, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1704, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1704, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1704, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1704, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1704, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1704, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1704, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1704, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1704, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1704, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1704, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1704, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1704, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1704, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1704, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1704, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], "do_ccd_disp (sapt)": [[1704, "term-DO_CCD_DISP-SAPT", true]], "do_cubes() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.do_cubes", false]], "do_diis (dfocc)": [[1704, "term-DO_DIIS-DFOCC", true]], "do_diis (occ)": [[1704, "term-DO_DIIS-OCC", true]], "do_disp_exch_sinf (sapt)": [[1704, "term-DO_DISP_EXCH_SINF-SAPT", true]], "do_incfock_iter() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.do_incfock_iter", false]], "do_incfock_iter() (psi4.core.directjk method)": [[66, "psi4.core.DirectJK.do_incfock_iter", false]], "do_ind30_exch_sinf (sapt)": [[1704, "term-DO_IND30_EXCH_SINF-SAPT", true]], "do_ind_exch_sinf (sapt)": [[1704, "term-DO_IND_EXCH_SINF-SAPT", true]], "do_level_shift (dfocc)": [[1704, "term-DO_LEVEL_SHIFT-DFOCC", true]], "do_level_shift (occ)": [[1704, "term-DO_LEVEL_SHIFT-OCC", true]], "do_mbpt_disp (sapt)": [[1704, "term-DO_MBPT_DISP-SAPT", true]], "do_scs (dfocc)": [[1704, "term-DO_SCS-DFOCC", true]], "do_scs (occ)": [[1704, "term-DO_SCS-OCC", true]], "do_sos (dfocc)": [[1704, "term-DO_SOS-DFOCC", true]], "do_sos (occ)": [[1704, "term-DO_SOS-OCC", true]], "do_third_order (sapt)": [[1704, "term-DO_THIRD_ORDER-SAPT", true]], "docc (globals)": [[1704, "term-DOCC-GLOBALS", true]], "docc (mcscf)": [[1704, "term-DOCC-MCSCF", true]], "doccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.doccpi", false]], "docs_table_link() (in module psi4.driver)": [[292, "psi4.driver.docs_table_link", false]], "docs_table_link() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.docs_table_link", false]], "doi_basis_tolerance (dlpno)": [[1704, "term-DOI_BASIS_TOLERANCE-DLPNO", true]], "doi_pruning_scheme (dlpno)": [[1704, "term-DOI_PRUNING_SCHEME-DLPNO", true]], "doi_radial_points (dlpno)": [[1704, "term-DOI_RADIAL_POINTS-DLPNO", true]], "doi_spherical_points (dlpno)": [[1704, "term-DOI_SPHERICAL_POINTS-DLPNO", true]], "domain (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.domain", false]], "dot() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.dot", false]], "double-hybrid correction energy": [[1776, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", false]], "doublet() (in module psi4.core)": [[182, "psi4.core.doublet", false]], "doublet() (psi4.core.matrix static method)": [[100, "psi4.core.Matrix.doublet", false]], "dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.DPD_ID", false]], "dpdbuf4 (class in psi4.core)": [[183, "psi4.core.dpdbuf4", false]], "dpdfile2 (class in psi4.core)": [[184, "psi4.core.dpdfile2", false]], "dpotrf() (in module psi4.core)": [[40, "psi4.core.DPOTRF", false]], "dpotri() (in module psi4.core)": [[41, "psi4.core.DPOTRI", false]], "dpotrs() (in module psi4.core)": [[42, "psi4.core.DPOTRS", false]], "driver (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.driver", false]], "driver (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.driver", false]], "driver (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.driver", false]], "driver (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.driver", false]], "drop_duplicates() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.drop_duplicates", false]], "drot() (in module psi4.core)": [[43, "psi4.core.DROT", false]], "dsbmv() (in module psi4.core)": [[44, "psi4.core.DSBMV", false]], "dscal() (in module psi4.core)": [[45, "psi4.core.DSCAL", false]], "dswap() (in module psi4.core)": [[46, "psi4.core.DSWAP", false]], "dsyev() (in module psi4.core)": [[47, "psi4.core.DSYEV", false]], "dsymm() (in module psi4.core)": [[48, "psi4.core.DSYMM", false]], "dsymv() (in module psi4.core)": [[49, "psi4.core.DSYMV", false]], "dsyr() (in module psi4.core)": [[50, "psi4.core.DSYR", false]], "dsyr2() (in module psi4.core)": [[51, "psi4.core.DSYR2", false]], "dsyr2k() (in module psi4.core)": [[52, "psi4.core.DSYR2K", false]], "dsyrk() (in module psi4.core)": [[53, "psi4.core.DSYRK", false]], "dsysv() (in module psi4.core)": [[54, "psi4.core.DSYSV", false]], "dtbmv() (in module psi4.core)": [[55, "psi4.core.DTBMV", false]], "dtbsv() (in module psi4.core)": [[56, "psi4.core.DTBSV", false]], "dtrmm() (in module psi4.core)": [[57, "psi4.core.DTRMM", false]], "dtrmv() (in module psi4.core)": [[58, "psi4.core.DTRMV", false]], "dtrsm() (in module psi4.core)": [[59, "psi4.core.DTRSM", false]], "dtrsv() (in module psi4.core)": [[60, "psi4.core.DTRSV", false]], "dum() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.dum", false]], "dummy_einsums() (in module psi4.core)": [[185, "psi4.core.dummy_einsums", false]], "dummy_integratorxx() (in module psi4.core)": [[186, "psi4.core.dummy_integratorxx", false]], "dynamic_level (optking)": [[1704, "term-DYNAMIC_LEVEL-OPTKING", true]], "dynamic_variable_bind() (in module psi4.driver)": [[293, "psi4.driver.dynamic_variable_bind", false]], "e() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.E", false]], "e3_scale (dfocc)": [[1704, "term-E3_SCALE-DFOCC", true]], "e3_scale (occ)": [[1704, "term-E3_SCALE-OCC", true]], "e_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.e_conv", false]], "e_convergence (ccenergy)": [[1704, "term-E_CONVERGENCE-CCENERGY", true]], "e_convergence (cceom)": [[1704, "term-E_CONVERGENCE-CCEOM", true]], "e_convergence (dct)": [[1704, "term-E_CONVERGENCE-DCT", true]], "e_convergence (detci)": [[1704, "term-E_CONVERGENCE-DETCI", true]], "e_convergence (dfocc)": [[1704, "term-E_CONVERGENCE-DFOCC", true]], "e_convergence (dlpno)": [[1704, "term-E_CONVERGENCE-DLPNO", true]], "e_convergence (fnocc)": [[1704, "term-E_CONVERGENCE-FNOCC", true]], "e_convergence (mcscf)": [[1704, "term-E_CONVERGENCE-MCSCF", true]], "e_convergence (mrcc)": [[1704, "term-E_CONVERGENCE-MRCC", true]], "e_convergence (occ)": [[1704, "term-E_CONVERGENCE-OCC", true]], "e_convergence (psimrcc)": [[1704, "term-E_CONVERGENCE-PSIMRCC", true]], "e_convergence (scf)": [[1704, "term-E_CONVERGENCE-SCF", true]], "ea_poles (occ)": [[1704, "term-EA_POLES-OCC", true]], "ecp_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ecp_shell", false]], "ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ecp_shell_on_center", false]], "ecpint": [[1765, "index-0", false]], "efp": [[1782, "index-0", false], [1782, "index-1", false], [1782, "index-4", false], [1782, "index-5", false]], "efp disp energy": [[1776, "psivar-EFP-DISP-ENERGY", false]], "efp elst energy": [[1776, "psivar-EFP-ELST-ENERGY", false]], "efp exch energy": [[1776, "psivar-EFP-EXCH-ENERGY", false]], "efp ind energy": [[1776, "psivar-EFP-IND-ENERGY", false]], "efp torque": [[1776, "psivar-EFP-TORQUE", false]], "efp total energy": [[1776, "psivar-EFP-TOTAL-ENERGY", false]], "efp_disp (efp)": [[1704, "term-EFP_DISP-EFP", true]], "efp_disp_damping (efp)": [[1704, "term-EFP_DISP_DAMPING-EFP", true]], "efp_elst (efp)": [[1704, "term-EFP_ELST-EFP", true]], "efp_elst_damping (efp)": [[1704, "term-EFP_ELST_DAMPING-EFP", true]], "efp_exch (efp)": [[1704, "term-EFP_EXCH-EFP", true]], "efp_ind (efp)": [[1704, "term-EFP_IND-EFP", true]], "efp_ind_damping (efp)": [[1704, "term-EFP_IND_DAMPING-EFP", true]], "efp_qm_elst (efp)": [[1704, "term-EFP_QM_ELST-EFP", true]], "efp_qm_ind (efp)": [[1704, "term-EFP_QM_IND-EFP", true]], "efzc() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.efzc", false]], 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"term-F_CUT-DLPNO", true]], "fa() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa", false]], "fa_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa_subset", false]], "factory() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.factory", false]], "fail_on_maxiter (scf)": [[1704, "term-FAIL_ON_MAXITER-SCF", true]], "failure (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Failure", false]], "favg (mcscf)": [[1704, "term-FAVG-MCSCF", true]], "favg_ccsd_t (psimrcc)": [[1704, "term-FAVG_CCSD_T-PSIMRCC", true]], "favg_start (mcscf)": [[1704, "term-FAVG_START-MCSCF", true]], "fb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb", false]], "fb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb_subset", false]], "fcharge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fcharge", false]], "fchk": [[1769, "index-0", false]], "fchk() (in module psi4.driver)": 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"term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1704, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1704, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1704, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1704, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1704, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[77, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[78, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1704, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[189, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1771, "index-0", false]], "fno-ccsd(t)": [[1771, "index-1", false]], "fno-mp4": [[1771, "index-1", false]], "fno-qcisd(t)": [[1771, "index-1", false]], "fnocc": [[1771, "index-2", false], [1771, "index-3", false]], "fnocc() (in module psi4.core)": [[190, "psi4.core.fnocc", false]], "follow_root (detci)": [[1704, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1704, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1704, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1704, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1704, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1704, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1704, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1704, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[84, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[84, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[84, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_F", false]], "form_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_opdm", false]], "form_qr_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.form_symmetry_information", false]], "form_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_tpdm", false]], "form_unc_amplitude() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[84, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1704, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1704, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1704, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1704, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[84, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1704, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1704, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1704, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1704, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[79, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_all_dihedrals (optking)": [[1704, "term-FREEZE_ALL_DIHEDRALS-OPTKING", true]], "freeze_core (globals)": [[1704, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1704, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1704, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1704, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1704, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1772, "index-0", false]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq", false]], "frequencies()": [[1772, "index-0", false]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1772, "index-0", false]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency", false]], "frequency();": [[1772, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[106, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1771, "index-0", false]], "frozen natural orbitals": [[1771, "index-1", false]], "frozen_bend (optking)": [[1704, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1704, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1704, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1704, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1704, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1704, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1704, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1704, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1704, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1772, "index-0", false], [1800, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[80, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[84, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[147, "psi4.core.VBase.functional", false]], "functionals": [[1784, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fZ", false], [106, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1704, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1773, "index-0", false]], "gauge (adc)": [[1704, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1704, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1704, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1769, "index-0", false]], "gaussianshell (class in psi4.core)": [[81, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[82, "psi4.core.GaussianType", false]], "gcp": [[1774, "index-0", false]], "gdma": [[1775, "index-0", false]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1704, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1704, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1704, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1704, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1704, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1832, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1704, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1800, "index-0", false], [1802, "index-1", false], [1802, "index-2", false], [1802, "index-3", false], [1802, "index-4", false]], "geometry optimization, optimization": [[1802, "index-0", false]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[83, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[148, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[191, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[192, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[193, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[114, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[194, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[114, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[195, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[196, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[114, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[114, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[197, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[198, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_memory", false]], "get_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_method", false]], "get_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.get_mix_data", false]], "get_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_MO_core", false]], "get_np_xyzw() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[199, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_beta", false]], "get_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_opdm", false]], "get_option() (in module psi4.core)": [[200, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[201, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[202, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_snlink_max_am() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_snLinK_max_am", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[114, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[203, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[204, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[205, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[86, "psi4.core.IO.getpid", false]], "ghost": [[1833, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1833, "index-3", false]], "gibbs free energy": [[1776, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1776, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1800, "index-0", false]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1704, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1776, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1776, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1776, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[147, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1704, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[84, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1704, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1704, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1704, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1704, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1704, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1704, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1704, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1704, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1704, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1704, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1704, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1843, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1838, "index-0", false]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1704, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1704, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1704, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1704, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1704, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1704, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1704, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1704, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1704, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1704, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1772, "index-0", false]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1704, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1838, "index-0", false]], "hf (class in psi4.core)": [[84, "psi4.core.HF", false]], "hf dipole gradient": [[1776, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1776, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1776, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1776, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1776, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1776, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1776, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1837, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hold_options_state", false]], "host": [[1738, "index-21", false], [1738, "index-23", false], [1767, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1704, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module psi4.core)": [[85, "psi4.core.IDAMAX", false]], "identity() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.identity", false]], "idfmo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Idfmo", false]], "imo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Imo", false]], "import_ignorecase() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.import_ignorecase", false]], "incfock (scf)": [[1704, "term-INCFOCK-SCF", true]], "incfock_convergence (scf)": [[1704, "term-INCFOCK_CONVERGENCE-SCF", true]], "incfock_full_fock_every (scf)": [[1704, "term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1704, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[148, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[92, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1738, "index-0", false]], "intcos_generate_exit (optking)": [[1704, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1704, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1704, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[89, "psi4.core.IntegralFactory", false]], "integrals": [[1783, "index-0", false], [1839, "index-0", false]], "integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integrals", false]], "integrals_erf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integrals_erf", false]], "integrals_erfc() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integrals_erfc", false]], "integraltransform (class in psi4.core)": [[90, "psi4.core.IntegralTransform", false]], "interfrag_collinear_tol (optking)": [[1704, "term-INTERFRAG_COLLINEAR_TOL-OPTKING", true]], "interfrag_coords (optking)": [[1704, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1704, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1704, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1704, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1704, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1704, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1704, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1704, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1704, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1704, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1704, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1704, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1704, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1704, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1704, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[88, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[86, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[87, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[88, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1704, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[308, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1768, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1802, "index-2", false]], "irc_direction (optking)": [[1704, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1704, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1704, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[91, "psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1799, 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"psi4.core.JK.J", false]], "jk (class in psi4.core)": [[92, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[84, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1704, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[92, "psi4.core.JK.K", false]], "keywords": [[1740, "index-0", false], [1752, "index-0", false], [1761, "index-0", false], [1766, "index-0", false], [1772, "index-0", false], [1794, "index-1", false], [1800, "index-0", false], [1826, "index-0", false], [1832, "index-2", false], [1833, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1704, "term-KIND-ADC", true]], "kinetic() 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false]], "lccd opposite-spin correlation energy": [[1776, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1776, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1776, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1776, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1771, "index-1", false]], "lccsd (+lmp2) total energy": [[1776, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd correlation energy": [[1776, "psivar-LCCSD-CORRELATION-ENERGY", false]], "lccsd doubles energy": [[1776, "psivar-LCCSD-DOUBLES-ENERGY", false]], "lccsd opposite-spin correlation energy": [[1776, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccsd same-spin correlation energy": [[1776, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccsd singles energy": [[1776, "psivar-LCCSD-SINGLES-ENERGY", false]], "lccsd total energy": [[1776, "psivar-LCCSD-TOTAL-ENERGY", false]], "left-right cc2 eigenvector 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"term-LS_THC_PRUNING_SCHEME-GLOBALS", true]], "ls_thc_radial_points (globals)": [[1704, "term-LS_THC_RADIAL_POINTS-GLOBALS", true]], "ls_thc_s_epsilon (globals)": [[1704, "term-LS_THC_S_EPSILON-GLOBALS", true]], "ls_thc_spherical_points (globals)": [[1704, "term-LS_THC_SPHERICAL_POINTS-GLOBALS", true]], "ls_thc_weights_tolerance (globals)": [[1704, "term-LS_THC_WEIGHTS_TOLERANCE-GLOBALS", true]], "lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.lsda_cutoff", false]], "lse (detci)": [[1704, "term-LSE-DETCI", true]], "lse_collapse (detci)": [[1704, "term-LSE_COLLAPSE-DETCI", true]], "lse_tolerance (detci)": [[1704, "term-LSE_TOLERANCE-DETCI", true]], "madmp2_sleep (dfmp2)": [[1704, "term-MADMP2_SLEEP-DFMP2", true]], "make_filename() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.make_filename", false]], "managedmethoderror": [[268, "psi4.driver.ManagedMethodError", false]], "mark_file_for_retention() (psi4.core.iomanager method)": [[87, 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false]], "maximum() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.maximum", false]], "maximum() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.maximum", false]], "maxiter (adc)": [[1704, "term-MAXITER-ADC", true]], "maxiter (ccenergy)": [[1704, "term-MAXITER-CCENERGY", true]], "maxiter (cceom)": [[1704, "term-MAXITER-CCEOM", true]], "maxiter (cclambda)": [[1704, "term-MAXITER-CCLAMBDA", true]], "maxiter (ccresponse)": [[1704, "term-MAXITER-CCRESPONSE", true]], "maxiter (dct)": [[1704, "term-MAXITER-DCT", true]], "maxiter (fisapt)": [[1704, "term-MAXITER-FISAPT", true]], "maxiter (fnocc)": [[1704, "term-MAXITER-FNOCC", true]], "maxiter (mcscf)": [[1704, "term-MAXITER-MCSCF", true]], "maxiter (pe)": [[1704, "term-MAXITER-PE", true]], "maxiter (psimrcc)": [[1704, "term-MAXITER-PSIMRCC", true]], "maxiter (sapt)": [[1704, "term-MAXITER-SAPT", true]], "maxiter (scf)": [[1704, "term-MAXITER-SCF", true]], "maxr() 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"term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1704, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1789, "index-0", false], [1789, "index-1", false]], "mcscf total energy": [[1776, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[215, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1704, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1704, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type (detci)": [[1704, "term-MCSCF_DIIS_ERROR_TYPE-DETCI", true]], "mcscf_diis_freq (detci)": [[1704, "term-MCSCF_DIIS_FREQ-DETCI", true]], "mcscf_diis_max_vecs (detci)": [[1704, "term-MCSCF_DIIS_MAX_VECS-DETCI", true]], "mcscf_diis_start (detci)": [[1704, "term-MCSCF_DIIS_START-DETCI", true]], "mcscf_dpd_cleanup (detci)": [[1704, "term-MCSCF_DPD_CLEANUP-DETCI", true]], "mcscf_e_convergence (detci)": [[1704, "term-MCSCF_E_CONVERGENCE-DETCI", true]], "mcscf_guess (detci)": [[1704, "term-MCSCF_GUESS-DETCI", true]], "mcscf_max_rot (detci)": [[1704, "term-MCSCF_MAX_ROT-DETCI", true]], "mcscf_maxiter (detci)": [[1704, "term-MCSCF_MAXITER-DETCI", true]], "mcscf_object() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.mcscf_object", false]], "mcscf_r_convergence (detci)": [[1704, "term-MCSCF_R_CONVERGENCE-DETCI", true]], "mcscf_rotate (detci)": [[1704, "term-MCSCF_ROTATE-DETCI", true]], "mcscf_so_start_e (detci)": [[1704, "term-MCSCF_SO_START_E-DETCI", true]], "mcscf_so_start_grad (detci)": [[1704, "term-MCSCF_SO_START_GRAD-DETCI", true]], "mcscf_type (detci)": [[1704, "term-MCSCF_TYPE-DETCI", true]], "mdi_run() (in module psi4.driver)": [[312, "psi4.driver.mdi_run", false]], "memdfjk (class in psi4.core)": [[102, "psi4.core.MemDFJK", false]], "memory": [[1832, "index-1", false]], "memory_estimate() (psi4.core.jk method)": [[92, "psi4.core.JK.memory_estimate", false]], "message (psi4.driver.convergenceerror attribute)": [[266, "psi4.driver.ConvergenceError.message", false]], "message (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.message", false]], "message (psi4.driver.missingmethoderror attribute)": [[269, "psi4.driver.MissingMethodError.message", false]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.message", false]], "message (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.message", false]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.message", false]], "message (psi4.driver.testcomparisonerror attribute)": [[278, "psi4.driver.TestComparisonError.message", false]], "message (psi4.driver.validationerror attribute)": [[280, "psi4.driver.ValidationError.message", false]], "message_box() (in module psi4.driver)": [[313, "psi4.driver.message_box", false]], "message_box() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.message_box", false]], "meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.meta_cutoff", false]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.metadata", false]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.metameta", false]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta", false]], "method (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.method", false]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.method", false]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.method", false]], "method (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.method", false]], "method alias": [[1834, "index-0", false]], "metric() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.metric", false]], "metric_inv() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.metric_inv", false]], "min_ccd_diisvecs (sapt)": [[1704, "term-MIN_CCD_DIISVECS-SAPT", true]], "minao_basis (fisapt)": [[1704, "term-MINAO_BASIS-FISAPT", true]], "minima": [[1802, "index-1", false]], "mintshelper (class in psi4.core)": [[103, "psi4.core.MintsHelper", false]], "mintshelper() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.mintshelper", false]], "mintshelper() (psi4.core.rhf method)": [[128, "psi4.core.RHF.mintshelper", false]], "mintshelper() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.mintshelper", false]], "mintshelper() (psi4.core.uhf method)": [[145, "psi4.core.UHF.mintshelper", false]], "mintshelper() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.mintshelper", false]], "missingmethoderror": [[269, "psi4.driver.MissingMethodError", false]], "mixed (detci)": [[1704, "term-MIXED-DETCI", true]], "mixed4 (detci)": [[1704, "term-MIXED4-DETCI", true]], "mk-mrcc": [[1829, "index-0", false]], "mkl_num_threads": [[1767, "envvar-MKL_NUM_THREADS", false], [1767, "index-8", false]], "mkl_root": [[1738, "envvar-MKL_ROOT", false]], "mo_diis_num_vecs (dfocc)": [[1704, "term-MO_DIIS_NUM_VECS-DFOCC", true]], "mo_elec_dip_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_elec_dip_deriv1", false]], "mo_erf_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_erf_eri", false]], "mo_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_eri", false]], "mo_extents() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.mo_extents", false]], "mo_f12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12", false]], "mo_f12_double_commutator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12_double_commutator", false]], "mo_f12_squared() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12_squared", false]], "mo_f12g12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12g12", false]], "mo_maxiter (dfocc)": [[1704, "term-MO_MAXITER-DFOCC", true]], "mo_maxiter (occ)": [[1704, "term-MO_MAXITER-OCC", true]], "mo_oei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_oei_deriv1", false]], "mo_oei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_oei_deriv2", false]], "mo_overlap_half_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_overlap_half_deriv1", false]], "mo_read (mcscf)": [[1704, "term-MO_READ-MCSCF", true]], "mo_read (occ)": [[1704, "term-MO_READ-OCC", true]], "mo_spin_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_spin_eri", false]], "mo_step_max (dfocc)": [[1704, "term-MO_STEP_MAX-DFOCC", true]], "mo_step_max (occ)": [[1704, "term-MO_STEP_MAX-OCC", true]], "mo_tei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv1", false]], "mo_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv2", false]], "mo_transform() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_transform", false]], "mo_write (occ)": [[1704, "term-MO_WRITE-OCC", true]], "module": [[1772, "module-psi4.driver.qcdb.vib", false], [1827, "module-psi4.core", false], [1827, "module-psi4.driver", false], [1827, "module-psi4.driver.p4util", false]], "module (cphf)": [[1704, "term-MODULE-CPHF", true]], "module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.module", false]], "mofa() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFa", false]], "mofb() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFb", false]], "mofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1704, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1791, "index-0", false]], "molden() (in module psi4.driver)": [[314, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1704, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1704, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1704, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[104, "psi4.core.MoldenWriter", false]], "molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.molecular_charge", false]], "moleculargrid (class in psi4.core)": [[105, "psi4.core.MolecularGrid", false]], "molecule": [[1782, "index-4", false], [1833, "index-0", false], [1833, "index-1", false], [1833, "index-2", false], [1833, "index-3", false], [1833, "index-4", false], [1833, "index-5", false], [1833, "index-7", false]], "molecule (class in psi4.core)": [[106, "psi4.core.Molecule", false]], "molecule (class in psi4.driver.qcdb)": [[1768, "psi4.driver.qcdb.Molecule", false]], "molecule (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.molecule", false]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.molecule", false]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule", false]], "molecule (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.molecule", false]], "molecule specification": [[1782, "index-4", false]], "molecule() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.molecule", false]], "molecule() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.molecule", false]], "molecule() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.molecule", false]], "molecule_get_attr() (in module psi4.driver)": [[315, "psi4.driver.molecule_get_attr", false]], "molecule_set_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_set_attr", false]], "mom": [[1838, "index-2", false]], "mom_excited_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_excited_", false]], "mom_occ (scf)": [[1704, "term-MOM_OCC-SCF", true]], "mom_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_performed_", false]], "mom_start (scf)": [[1704, "term-MOM_START-SCF", true]], "mom_vir (scf)": [[1704, "term-MOM_VIR-SCF", true]], "montage": [[1750, "envvar-MONTAGE", false], [1750, "index-2", false]], "mospace (class in psi4.core)": [[98, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[99, "psi4.core.MOWriter", false]], "mp2": [[1756, "index-0", false]], "mp2 alpha-alpha pair energies": [[1776, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1776, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1776, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1776, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1776, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1776, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1776, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1776, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1776, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1776, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1776, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1776, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1776, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1776, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1776, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1776, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1776, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1776, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1776, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1776, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1704, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1704, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1704, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1704, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1704, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1704, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1704, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1704, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1704, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1704, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1704, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1704, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1704, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1704, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1704, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1704, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1704, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1704, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1704, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1776, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1776, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1776, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1776, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1776, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1776, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1771, "index-1", false]], "mp4 correlation energy": [[1776, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1776, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1776, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1776, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1776, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1776, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1776, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1704, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1704, "term-MPN-DETCI", true]], "mpn correlation energy": [[1776, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1776, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1704, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1704, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1704, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1792, "index-0", false]], "mrcc total energy": [[1776, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1704, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1704, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1704, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1704, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1704, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1704, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1704, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1776, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1704, "term-MS0-DETCI", true]], "mtd 128-pole": [[1776, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1776, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1776, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1776, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1776, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1776, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1776, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1776, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1789, "index-2", false]], "multiple fragments": [[1833, "index-7", false]], "multiple in input file": [[1833, "index-1", false]], "multiple within molecule": [[1730, "index-1", false]], "multiplicity": [[1833, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[107, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[108, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1829, "index-0", false]], "n() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.n", false]], "n() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.n", false]], "n_ecp_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_core", false]], "n_ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_shell_on_center", false]], "n_frozen_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_frozen_core", false]], "nablaint (class in psi4.core)": [[109, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalphapi", false]], "name (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.name", false]], "name (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.name", false]], "name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[88, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[148, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[80, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[92, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1704, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1704, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1704, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1704, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1704, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1704, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1704, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1776, "psivar-NAUX-CC", false]], "naux (scf)": [[1776, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[147, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1776, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1776, "psivar-NBODY-NUMBER", false]], "nbody() (in module psi4.driver.driver_nbody)": [[1794, "psi4.driver.driver_nbody.nbody", false]], "ncartesian (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.ncartesian", false]], "ncd() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.ncd", false]], "ncenter (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.ncenter", false]], "ndet() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.ndet", false]], "needs_grac() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_grac", false]], "needs_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_vv10", false]], "needs_xc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_xc", false]], "new_civector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.new_civector", false]], "new_triples (ccenergy)": [[1704, "term-NEW_TRIPLES-CCENERGY", true]], "new_triples (cceom)": [[1704, "term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.new_vector", false]], "next() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.next", false]], "nfragments (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nfragments", false]], "nfrzc() 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"nl_dispersion_parameters (scf)": [[1704, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1704, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1833, "index-2", false]], "no_singles (psimrcc)": [[1704, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1794, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1704, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[148, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[148, "psi4.core.Vector.np_read", false]], "np_write() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.np_write", false]], "np_write() (psi4.core.vector method)": [[148, "psi4.core.Vector.np_write", false]], "nph (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.nph", false]], "nph (psi4.core.vector attribute)": [[148, "psi4.core.Vector.nph", false]], "npoints() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.npoints", false]], "npoints() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.npoints", false]], "nprimitive (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.nprimitive", false]], "nprimitive() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nprimitive", false]], "nshell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell", false]], "nshell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell_on_center", false]], "nso() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nso", false]], "nsopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nsopi", false]], "nuclear repulsion energy": [[1776, "psivar-NUCLEAR-REPULSION-ENERGY", false]], "nuclear() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.nuclear", false]], "nuclear_dipole() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_dipole", false]], "nuclear_repulsion_energy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy", false]], "nuclear_repulsion_energy_deriv1() 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[[1704, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1704, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[110, "psi4.core.NumIntHelper", false]], "numpy": [[1797, "index-0", false]], "occ() (in module psi4.core)": [[218, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1704, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1704, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1704, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1704, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1704, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_b", false]], "ocepa(0) 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"psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2 total energy": [[1776, "psivar-OMP2-TOTAL-ENERGY", false]], "omp2.5": [[1798, "index-4", false]], "omp2.5 correlation energy": [[1776, "psivar-OMP2.5-CORRELATION-ENERGY", false]], "omp2.5 doubles energy": [[1776, "psivar-OMP2.5-DOUBLES-ENERGY", false]], "omp2.5 opposite-spin correlation energy": [[1776, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2.5 reference correction energy": [[1776, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", false]], "omp2.5 same-spin correlation energy": [[1776, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2.5 total energy": [[1776, "psivar-OMP2.5-TOTAL-ENERGY", false]], "omp3": [[1798, "index-1", false], [1798, "index-3", false]], "omp3 correlation energy": [[1776, "psivar-OMP3-CORRELATION-ENERGY", false]], "omp3 doubles energy": [[1776, "psivar-OMP3-DOUBLES-ENERGY", false]], "omp3 opposite-spin correlation energy": [[1776, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp3 reference correction energy": [[1776, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", false]], "omp3 same-spin correlation energy": [[1776, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", false]], "omp3 total energy": [[1776, "psivar-OMP3-TOTAL-ENERGY", false]], "omp_nested": [[1756, "index-2", false], [1756, "index-3", false], [1767, "envvar-OMP_NESTED", false]], "omp_num_threads": [[661, "index-0", false], [1206, "index-0", false], [1224, "index-0", false], [1240, "index-0", false], [1704, "index-0", false], [1704, "index-1", false], [1743, "index-9", false], [1767, "envvar-OMP_NUM_THREADS", false], [1767, "index-14", false], [1767, "index-7", false]], "one-electron energy": [[1776, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[112, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[113, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1704, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1704, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1704, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1704, "term-OPDM-DCT", true]], "opdm (detci)": [[1704, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.opdm", false]], "opdm_only (ccdensity)": [[1704, "term-OPDM_ONLY-CCDENSITY", true]], "opdm_relax (ccdensity)": [[1704, "term-OPDM_RELAX-CCDENSITY", true]], "opdm_relax (dfmp2)": [[1704, "term-OPDM_RELAX-DFMP2", true]], "open() (psi4.core.io method)": [[86, "psi4.core.IO.open", false]], "open_check() (psi4.core.io method)": [[86, "psi4.core.IO.open_check", false]], "operate() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.operate", false]], "opt()": [[1800, "index-0", false]], "opt() (in module psi4.driver)": [[318, "psi4.driver.opt", false]], "opt_coordinates (optking)": [[1704, "term-OPT_COORDINATES-OPTKING", true]], "opt_method (dfocc)": [[1704, "term-OPT_METHOD-DFOCC", true]], "opt_method (occ)": [[1704, "term-OPT_METHOD-OCC", true]], "opt_restart (optking)": [[1704, "term-OPT_RESTART-OPTKING", true]], "opt_type (optking)": [[1704, "term-OPT_TYPE-OPTKING", true]], "optimization iterations": [[1776, "psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[270, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1800, "index-0", false]], "optimize() (in module psi4.driver)": [[319, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[320, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[219, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[114, "psi4.core.Options", false]], "options() 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omp3": [[1798, "index-0", false]], "orbital_level_shift (dct)": [[1704, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1704, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[115, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1798, "index-6", false]], "oremp2 correlation energy": [[1776, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1776, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1776, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1776, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1776, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1776, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1776, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1704, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1704, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1704, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[221, "psi4.core.outfile_name", false]], "output": [[1740, "index-2", false], [1752, "index-3", false], [1802, "index-4", false], [1837, "index-5", false], [1843, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.overlap", false]], "overlap_3c() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.overlap_3c", false]], "overlap_check (cceom)": [[1704, "term-OVERLAP_CHECK-CCEOM", true]], "overlap_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.overlap_grad", false]], "overlapint (class in psi4.core)": [[116, "psi4.core.OverlapInt", false]], "owner_group (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.owner_group", false]], "p (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.p", false]], "p (thermo)": [[1704, "term-P-THERMO", true]], "pair_energies_print (ccenergy)": [[1704, "term-PAIR_ENERGIES_PRINT-CCENERGY", true]], "parallel (scf)": [[1704, "term-PARALLEL-SCF", true]], "parallel operation": [[1767, "index-6", false]], "parent_atom() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.parent_atom", false]], "parent_symmetry (globals)": [[1704, "term-PARENT_SYMMETRY-GLOBALS", true]], "parsingerror": [[271, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[272, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [106, "index-0", false], [1738, "index-1", false], [1738, "index-10", false], [1738, "index-11", false], [1738, "index-12", false], [1738, "index-13", false], [1738, "index-14", false], [1738, "index-15", false], [1738, "index-16", false], [1738, "index-17", false], [1738, "index-18", false], [1738, "index-19", false], [1738, "index-24", false], [1738, "index-25", false], [1738, "index-26", false], [1738, "index-5", false], [1738, "index-7", false], [1743, "index-1", false], [1743, "index-3", false], [1743, "index-5", false], [1743, "index-7", false], [1748, "index-0", false], [1748, "index-3", false], [1748, "index-5", false], [1748, "index-6", false], [1748, "index-7", false], [1759, "index-1", false], [1767, "envvar-PATH", false], [1767, "index-17", false], [1767, "index-18", false], [1774, "index-1", false], [1774, "index-2", false], [1792, "index-1", false]], "pbs queueing system": [[1767, "index-9", false]], "pcg_beta_type (dfocc)": [[1704, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1704, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1704, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1704, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1704, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1704, "term-PCG_MAXITER-OCC", true]], "pcm": [[1754, "index-0", false], [1803, "index-0", false], [1803, "index-1", false]], "pcm (globals)": [[1704, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1776, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1704, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.PCM_enabled", false]], "pcm_helper() (in module psi4.driver)": [[379, "psi4.driver.pcm_helper", false]], "pcm_helper() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.pcm_helper", false]], "pcm_scf_type (pcm)": [[1704, "term-PCM_SCF_TYPE-PCM", true]], "pcmsolver": [[1803, "index-0", false]], "pcmsolver_parsed_fname (pcm)": [[1704, "term-PCMSOLVER_PARSED_FNAME-PCM", true]], "pe": [[1749, "index-0", false], [1749, "index-1", false]], "pe (globals)": [[1704, "term-PE-GLOBALS", true]], "pe energy": [[1776, "psivar-PE-ENERGY", false]], "pe_ecp (pe)": [[1704, "term-PE_ECP-PE", true]], "pep1": [[1804, "index-0", false]], "perturb_cbs (psimrcc)": [[1704, "term-PERTURB_CBS-PSIMRCC", true]], "perturb_cbs_coupling (psimrcc)": [[1704, "term-PERTURB_CBS_COUPLING-PSIMRCC", true]], "perturb_dipole (scf)": [[1704, "term-PERTURB_DIPOLE-SCF", true]], "perturb_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1704, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1704, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1704, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1704, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[132, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[118, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1704, "term-PHI_POINTS-SCF", true]], "physconst": [[1706, "index-0", false]], "physical constants": [[1832, "index-0", false]], "pitzer_to_ci_order_onel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_onel", false]], "pitzer_to_ci_order_twoel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_twoel", false]], "pk_all_nonsym (scf)": [[1704, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1704, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1768, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.play", false]], "plugin": [[1807, "index-0", false]], "plugin() (in module psi4.core)": [[222, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[223, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[224, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[225, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[367, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[117, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1704, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[119, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[120, "psi4.core.PointGroup", false]], "points (findif)": [[1704, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[121, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1704, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1704, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1704, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module psi4.core)": [[226, "psi4.core.prepare_options_for_module", false]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prepare_options_for_modules", false]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_set_options", false]], "prepare_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.prepare_results", false]], "prerequisites": [[1738, "index-0", false]], "presort_so_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[122, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1704, "term-PRINT-CPHF", true]], "print (efp)": [[1704, "term-PRINT-EFP", true]], "print (globals)": [[1704, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1704, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1704, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_density_threshold", false]], "print_detail() (psi4.core.functional method)": [[80, "psi4.core.Functional.print_detail", false]], "print_detail() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_detail", false]], "print_detail_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_detail_out", false]], "print_distances() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_distances", false]], "print_dpd_lookup() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.print_dpd_lookup", false]], "print_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.print_energies", false]], "print_energy() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_energy", false]], "print_global_options() (in module psi4.core)": [[227, "psi4.core.print_global_options", false]], "print_global_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_global_options", false]], "print_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_gradient", false]], "print_header() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.print_header", false]], "print_header() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[84, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[92, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[147, "psi4.core.VBase.print_header", false]], "print_hessian() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_hessian", false]], "print_in_input_format() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1704, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1704, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1704, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[228, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[229, "psi4.core.print_out", false]], "print_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_out", false]], "print_out() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.print_out", false]], "print_out() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.print_out", false]], "print_out() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.print_out", false]], "print_out() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.print_out", false]], "print_out() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_out", false]], "print_out() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.print_out", false]], "print_out() (psi4.core.functional method)": [[80, "psi4.core.Functional.print_out", false]], "print_out() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.print_out", false]], "print_out() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.print_out", false]], "print_out() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_out", false]], "print_out() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out", false]], "print_out() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.print_out", false]], "print_out() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.print_out", false]], "print_out() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_out", false]], "print_out() (psi4.core.vector method)": [[148, "psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[267, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[84, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_trailer", false]], "print_trajectory_xyz_file (optking)": [[1704, "term-PRINT_TRAJECTORY_XYZ_FILE-OPTKING", true]], "print_variables() (in module psi4.core)": [[230, "psi4.core.print_variables", false]], "print_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.print_vector", false]], "print_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_vibs", false]], "priority (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.priority", false]], "process_grid (scf)": [[1704, "term-PROCESS_GRID-SCF", true]], "process_input() (in module psi4.driver)": [[380, "psi4.driver.process_input", false]], "process_input() (in module psi4.driver.inputparser)": [[1768, "psi4.driver.inputparser.process_input", false]], "project_densities() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.project_densities", false]], "prop (class in psi4.core)": [[123, "psi4.core.Prop", false]], "prop()": [[1826, "index-0", false]], "prop() (in module psi4.driver)": [[381, "psi4.driver.prop", false]], "prop_all (ccdensity)": [[1704, "term-PROP_ALL-CCDENSITY", true]], "prop_all (cclambda)": [[1704, "term-PROP_ALL-CCLAMBDA", true]], "prop_root (ccdensity)": [[1704, "term-PROP_ROOT-CCDENSITY", true]], "prop_root (cceom)": [[1704, "term-PROP_ROOT-CCEOM", true]], "prop_root (cclambda)": [[1704, "term-PROP_ROOT-CCLAMBDA", true]], "prop_sym (ccdensity)": [[1704, "term-PROP_SYM-CCDENSITY", true]], "prop_sym (cceom)": [[1704, "term-PROP_SYM-CCEOM", true]], "prop_sym (cclambda)": [[1704, "term-PROP_SYM-CCLAMBDA", true]], "properties (globals)": [[1704, "term-PROPERTIES-GLOBALS", true]], "properties()": [[1826, "index-0", false]], "properties() (in module psi4.driver)": [[382, "psi4.driver.properties", false]], "properties() (psi4.core.vbase method)": [[147, "psi4.core.VBase.properties", false]], "properties_origin (globals)": [[1704, "term-PROPERTIES_ORIGIN-GLOBALS", true]], "property (ccenergy)": [[1704, "term-PROPERTY-CCENERGY", true]], "property (ccresponse)": [[1704, "term-PROPERTY-CCRESPONSE", true]], "protocols (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.protocols", false]], "protointvector (class in psi4.core)": [[124, "psi4.core.ProtoIntVector", false]], "protovector (class in psi4.core)": [[125, "psi4.core.ProtoVector", false]], "provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.provenance", false]], "provenance_stamp() (in module 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[[1827, "module-psi4.driver.p4util", false]], "psi4.driver.qcdb.vib": [[1772, "module-psi4.driver.qcdb.vib", false]], "psi4fockci": [[1805, "index-0", false]], "psi4rc": [[1767, "index-4", false]], "psi_scratch": [[1738, "index-27", false], [1748, "index-1", false], [1748, "index-2", false], [1748, "index-4", false], [1748, "index-8", false], [1767, "envvar-PSI_SCRATCH", false], [1767, "index-1", false], [1767, "index-12", false], [1767, "index-15", false], [1767, "index-19", false], [1767, "index-2", false], [1767, "index-3", false], [1767, "index-5", false]], "psi_top_srcdir() (in module psi4.core)": [[231, "psi4.core.psi_top_srcdir", false]], "psiclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.psiclean", false]], "psidatadir": [[194, "index-0", false], [245, "index-0", false], [1738, "index-3", false], [1738, "index-8", false], [1738, "index-9", false], [1767, "envvar-PSIDATADIR", false], [1767, "index-10", false], [1767, "index-13", false], [1767, "index-8", false], [1827, "index-2", false], [1827, "index-3", false]], "psiexception": [[273, "psi4.driver.PsiException", false]], "psimrcc() (in module psi4.core)": [[232, "psi4.core.psimrcc", false]], "psio_entry (class in psi4.core)": [[233, "psi4.core.psio_entry", false]], "psioh": [[1708, "index-0", false]], "psipath": [[106, "index-1", false], [1730, "index-4", false], [1730, "index-5", false], [1743, "index-2", false], [1743, "index-4", false], [1743, "index-6", false], [1743, "index-8", false], [1767, "envvar-PSIPATH", false], [1767, "index-11", false], [1767, "index-16", false], [1767, "index-20", false], [1767, "index-21", false], [1767, "index-22", false], [1767, "index-23", false], [1774, "index-3", false], [1782, "index-2", false], [1782, "index-3", false], [1808, "index-1", false], [1835, "index-1", false]], "psirc": [[1767, "index-4", false]], "psireturntype (class in psi4.core)": [[126, "psi4.core.PsiReturnType", false]], "pt_energy (psimrcc)": [[1704, "term-PT_ENERGY-PSIMRCC", true]], "pubchem": [[1833, "index-5", false]], "pure (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Pure", false]], "puream (globals)": [[1704, "term-PUREAM-GLOBALS", true]], "push_back_external_potential() (psi4.core.hf method)": [[84, "psi4.core.HF.push_back_external_potential", false]], "pythonpath": [[2, "index-0", false], [1738, "index-2", false], [1738, "index-4", false], [1738, "index-6", false], [1752, "index-1", false], [1752, "index-2", false], [1759, "index-2", false], [1767, "envvar-PYTHONPATH", false], [1767, "index-24", false], [1806, "index-1", false], [1807, "index-1", false], [1807, "index-2", false], [1808, "index-0", false]], "q (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.q", false]], "qc_coupling (dct)": [[1704, "term-QC_COUPLING-DCT", true]], "qc_module (globals)": [[1704, "term-QC_MODULE-GLOBALS", true]], "qc_type (dct)": [[1704, "term-QC_TYPE-DCT", true]], "qchf (dfocc)": [[1704, "term-QCHF-DFOCC", true]], "qchf (scf)": [[1704, "term-QCHF-SCF", true]], "qcisd correlation energy": [[1776, "psivar-QCISD-CORRELATION-ENERGY", false]], "qcisd doubles energy": [[1776, "psivar-QCISD-DOUBLES-ENERGY", false]], "qcisd opposite-spin correlation energy": [[1776, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "qcisd same-spin correlation energy": [[1776, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", false]], "qcisd singles energy": [[1776, "psivar-QCISD-SINGLES-ENERGY", false]], "qcisd total energy": [[1776, "psivar-QCISD-TOTAL-ENERGY", false]], "qcisd(t)": [[1771, "index-1", false]], "qcisd(t) correction energy": [[1776, "psivar-QCISD-T-CORRECTION-ENERGY", false]], "qcisd(t) correlation energy": [[1776, "psivar-QCISD-T-CORRELATION-ENERGY", false]], "qcisd(t) total energy": [[1776, "psivar-QCISD-T-TOTAL-ENERGY", false]], "qmefp (efp)": [[1704, "term-QMEFP-EFP", true]], "qmmm (class in psi4.driver)": [[274, "psi4.driver.QMMM", false]], "qmmmbohr (class in psi4.driver)": [[275, "psi4.driver.QMMMbohr", false]], "qmo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qmo", false]], "qoo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qoo", false]], "qov() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qov", false]], "qso() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qso", false]], "quadrature_values() (psi4.core.vbase method)": [[147, "psi4.core.VBase.quadrature_values", false]], "quadrupoleint (class in psi4.core)": [[127, "psi4.core.QuadrupoleInt", false]], "query_libxc() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.query_libxc", false]], "quiet (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.quiet", false]], "qvv() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qvv", false]], "r (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.r", false]], "r4s (detci)": [[1704, "term-R4S-DETCI", true]], "r_a() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.R_A", false]], "r_b() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.R_B", false]], "r_convergence (adc)": [[1704, "term-R_CONVERGENCE-ADC", true]], "r_convergence (ccenergy)": [[1704, "term-R_CONVERGENCE-CCENERGY", true]], "r_convergence (cceom)": [[1704, "term-R_CONVERGENCE-CCEOM", true]], "r_convergence (cclambda)": [[1704, "term-R_CONVERGENCE-CCLAMBDA", true]], "r_convergence (ccresponse)": [[1704, "term-R_CONVERGENCE-CCRESPONSE", true]], "r_convergence (dct)": [[1704, "term-R_CONVERGENCE-DCT", true]], "r_convergence (detci)": [[1704, "term-R_CONVERGENCE-DETCI", true]], "r_convergence (dfocc)": [[1704, "term-R_CONVERGENCE-DFOCC", true]], "r_convergence (dlpno)": [[1704, "term-R_CONVERGENCE-DLPNO", true]], "r_convergence (fnocc)": [[1704, "term-R_CONVERGENCE-FNOCC", true]], "r_convergence (occ)": [[1704, "term-R_CONVERGENCE-OCC", true]], "r_convergence (psimrcc)": [[1704, "term-R_CONVERGENCE-PSIMRCC", true]], "r_points (scf)": [[1704, "term-R_POINTS-SCF", true]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radial_scale", false]], "radii (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radii", false]], "radius (scf)": [[1704, "term-RADIUS-SCF", true]], "random phase approximation": [[1841, "index-0", false]], "ranged_bend (optking)": [[1704, "term-RANGED_BEND-OPTKING", true]], "ranged_dihedral (optking)": [[1704, "term-RANGED_DIHEDRAL-OPTKING", true]], "ranged_distance (optking)": [[1704, "term-RANGED_DISTANCE-OPTKING", true]], "ranged_oofp (optking)": [[1704, "term-RANGED_OOFP-OPTKING", true]], "ras1 (globals)": [[1704, "term-RAS1-GLOBALS", true]], "ras2 (globals)": [[1704, "term-RAS2-GLOBALS", true]], "ras3 (globals)": [[1704, "term-RAS3-GLOBALS", true]], "ras34_max (detci)": [[1704, "term-RAS34_MAX-DETCI", true]], "ras3_max (detci)": [[1704, "term-RAS3_MAX-DETCI", true]], "ras4 (globals)": [[1704, "term-RAS4-GLOBALS", true]], "ras4_max (detci)": [[1704, "term-RAS4_MAX-DETCI", true]], "raw_compute_properties() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.raw_compute_properties", false]], "raw_plot() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.raw_plot", false]], "read() (psi4.core.civector method)": [[12, "psi4.core.CIVector.read", false]], "read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.read_globals", false]], "read_scf_3index (dfocc)": [[1704, "term-READ_SCF_3INDEX-DFOCC", true]], "real (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Real", false]], "reference (adc)": [[1704, "term-REFERENCE-ADC", true]], "reference (ccdensity)": [[1704, "term-REFERENCE-CCDENSITY", true]], "reference (ccenergy)": [[1704, "term-REFERENCE-CCENERGY", true]], "reference (cceom)": [[1704, "term-REFERENCE-CCEOM", true]], "reference (ccresponse)": [[1704, "term-REFERENCE-CCRESPONSE", true]], "reference (cctransort)": [[1704, "term-REFERENCE-CCTRANSORT", true]], "reference (cctriples)": [[1704, "term-REFERENCE-CCTRIPLES", true]], "reference (dct)": [[1704, "term-REFERENCE-DCT", true]], "reference (detci)": [[1704, "term-REFERENCE-DETCI", true]], "reference (mcscf)": [[1704, "term-REFERENCE-MCSCF", true]], "reference (scf)": [[1704, "term-REFERENCE-SCF", true]], "reference_sym (detci)": [[1704, "term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1704, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1704, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[86, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1836, "index-0", false]], "relativistic (globals)": [[1704, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1704, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1704, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1776, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1776, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1776, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1776, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1776, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1776, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1704, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1704, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[234, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1704, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1704, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1767, "index-0", false]], "restart (ccenergy)": [[1704, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1704, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1704, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1704, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1704, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[326, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1704, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1704, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[235, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1704, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1704, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1704, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[128, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1704, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[129, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1704, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1704, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1704, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1704, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[130, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1704, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1704, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1704, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1704, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1704, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1704, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1704, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1704, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1704, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rows", false]], "rpa": [[1841, "index-0", false]], "rsrfo_alpha_max (optking)": [[1704, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1704, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1704, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1704, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1743, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1759, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1759, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1774, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1704, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1704, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1704, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1704, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.S", false]], "s6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s6", false]], "s8() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s8", false]], "s_cholesky_tolerance (scf)": [[1704, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1704, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1704, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1704, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1704, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1704, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1704, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1704, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1704, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1704, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1704, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1704, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[131, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[134, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1704, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1837, "index-0", false], [1837, "index-1", false], [1837, "index-2", false], [1837, "index-3", false], [1837, "index-4", false], [1837, "index-5", false]], "sapt (scf)": [[1704, "term-SAPT-SCF", true]], "sapt alpha": [[1776, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1776, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1776, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1776, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1776, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1776, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1776, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1776, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1776, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1776, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1776, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1776, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1776, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1776, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1776, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1776, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1776, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1776, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1776, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1776, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1776, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1776, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1776, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1776, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1776, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1776, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1776, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1776, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1776, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1776, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1776, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1776, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1776, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1776, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1776, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1776, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1776, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1776, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1776, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1776, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1776, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1776, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1776, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1776, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1776, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1776, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1776, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[237, "psi4.core.sapt", false]], "sapt(dft)": [[1837, "index-2", false]], "sapt0": [[1837, "index-1", false]], "sapt0 disp energy": [[1776, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1776, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1776, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1776, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1776, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1704, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1704, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1704, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1776, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1776, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1776, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1776, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1776, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1776, "psivar-1", false]], "sapt2+ elst energy": [[1776, "psivar-2", false]], "sapt2+ exch energy": [[1776, "psivar-3", false]], "sapt2+ ind energy": [[1776, "psivar-4", false]], "sapt2+ total energy": [[1776, "psivar-9", false]], "sapt2+(3) disp energy": [[1776, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1776, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1776, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1776, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1776, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1776, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1776, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1776, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1776, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1776, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1776, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1776, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1776, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1776, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1776, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1776, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1776, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1776, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1776, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1776, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1776, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1776, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1776, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1776, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1776, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1776, "psivar-5", false]], "sapt2+3 elst energy": [[1776, "psivar-6", false]], "sapt2+3 exch energy": [[1776, "psivar-7", false]], "sapt2+3 ind energy": [[1776, "psivar-8", false]], "sapt2+3 total energy": [[1776, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1776, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1776, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1776, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1776, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1776, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1776, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1776, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1776, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1776, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1776, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1776, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1776, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1776, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1776, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1776, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1776, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1776, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1776, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1776, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1776, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1704, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1704, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1704, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1704, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1704, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1704, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1704, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1704, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1704, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1704, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1704, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1704, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1704, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1704, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1704, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1704, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1704, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[148, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1704, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1704, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1704, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[135, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[238, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[239, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[148, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[240, "psi4.core.scatter", false]], "scf": [[1838, "index-0", false], [1838, "index-1", false]], "scf dipole": [[1776, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1776, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1776, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1776, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1776, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1776, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1776, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1776, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1704, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1704, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1704, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1704, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1704, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1704, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1704, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1704, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[84, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[241, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[242, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1704, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.scramble", false]], "scratch files": [[1767, "index-0", false]], "screening (globals)": [[1704, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1776, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1776, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1776, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1776, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1776, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1776, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1776, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1776, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1776, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1776, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1776, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1776, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1776, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1776, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1776, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1776, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1704, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1704, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1704, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1704, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1704, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1704, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1704, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1776, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1776, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1704, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1704, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1704, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1704, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1704, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1704, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1704, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[84, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[148, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[243, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_ansatz", false]], "set_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_AO_core", false]], "set_array() (psi4.core.options method)": [[114, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[244, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[114, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_camera", false]], "set_ci_guess() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_ci_guess", false]], "set_citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_citation", false]], "set_citation() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_connectivity", false]], "set_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.set_COSX_grid", false]], "set_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[92, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[114, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[84, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[114, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[92, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1768, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[86, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[92, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[114, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[114, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.setName", false]], "setting": [[1740, "index-0", false], [1752, "index-0", false], [1761, "index-0", false], [1766, "index-0", false], [1772, "index-0", false], [1794, "index-1", false], [1800, "index-0", false], [1826, "index-0", false], [1832, "index-2", false], [1833, "index-2", false]], "setting keywords": [[1798, "index-2", false], [1798, "index-3", false], [1798, "index-4", false], [1798, "index-5", false], [1798, "index-6", false]], "sf_restrict (detci)": [[1704, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[148, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[86, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[87, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[136, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1740, "psi4.driver.aliases.sherrill_gold_standard", false]], "shift() (psi4.core.civector method)": [[12, "psi4.core.CIVector.shift", false]], "sigma() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.sigma", false]], "sigma_overlap (detci)": [[1704, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1839, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1766, "index-0", false]], "singles_print (cceom)": [[1704, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[137, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1704, "term-SMALL_CUTOFF-PSIMRCC", true]], "snlink_basis_tolerance (scf)": [[1704, "term-SNLINK_BASIS_TOLERANCE-SCF", true]], "snlink_density_tolerance (scf)": [[1704, "term-SNLINK_DENSITY_TOLERANCE-SCF", true]], "snlink_force_cartesian (scf)": [[1704, "term-SNLINK_FORCE_CARTESIAN-SCF", true]], "snlink_gpu_mem (scf)": [[1704, "term-SNLINK_GPU_MEM-SCF", true]], "snlink_grid_batch_size (scf)": [[1704, "term-SNLINK_GRID_BATCH_SIZE-SCF", true]], "snlink_integrator_kernel (scf)": [[1704, "term-SNLINK_INTEGRATOR_KERNEL-SCF", true]], "snlink_ints_tolerance (scf)": [[1704, "term-SNLINK_INTS_TOLERANCE-SCF", true]], "snlink_load_balancer_kernel (scf)": [[1704, "term-SNLINK_LOAD_BALANCER_KERNEL-SCF", true]], "snlink_lwd_kernel (scf)": [[1704, "term-SNLINK_LWD_KERNEL-SCF", true]], "snlink_mol_weights_kernel (scf)": [[1704, "term-SNLINK_MOL_WEIGHTS_KERNEL-SCF", true]], "snlink_pruning_scheme (scf)": [[1704, "term-SNLINK_PRUNING_SCHEME-SCF", true]], "snlink_radial_points (scf)": [[1704, "term-SNLINK_RADIAL_POINTS-SCF", true]], "snlink_radial_scheme (scf)": [[1704, "term-SNLINK_RADIAL_SCHEME-SCF", true]], "snlink_reduction_kernel (scf)": [[1704, "term-SNLINK_REDUCTION_KERNEL-SCF", true]], "snlink_spherical_points (scf)": [[1704, "term-SNLINK_SPHERICAL_POINTS-SCF", true]], "snlink_use_debug_grid (scf)": [[1704, "term-SNLINK_USE_DEBUG_GRID-SCF", true]], "snlink_use_gpu (scf)": [[1704, "term-SNLINK_USE_GPU-SCF", true]], "sns-mp2": [[1806, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[103, 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"psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1704, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1704, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1704, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1704, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1704, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1704, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1704, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1704, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1704, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1704, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1704, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[133, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1776, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1776, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1776, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1776, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1776, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1776, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1776, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1776, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1704, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1704, "term-SOS_TYPE-OCC", true]], "soscf": [[1838, "index-3", false]], "soscf (scf)": [[1704, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1704, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1704, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1704, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1704, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1704, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[84, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.sotoao", false]], "specification": [[1833, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1755, "index-3", false]], "spin_scale_type (occ)": [[1704, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1704, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1704, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1704, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1704, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1704, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1776, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1776, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1776, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1776, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1776, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1704, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1704, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1704, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1704, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1704, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1704, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1704, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1704, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1704, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[86, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1704, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1768, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1704, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[138, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1704, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1833, "index-2", false], [1833, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[139, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1704, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1704, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1704, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1704, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1704, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1704, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1704, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1704, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1704, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1704, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1704, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1704, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1704, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1841, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1768, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1768, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (h) -> root n (i) excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 -> root n electric transition dipole moment (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1776, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1776, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1776, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1776, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1841, "index-0", false]], "tddft": [[1841, "index-0", false]], "tdm (detci)": [[1704, "term-TDM-DETCI", true]], "tdscf": [[1841, "index-0", false], [1841, "index-1", false]], "tdscf() (in module psi4.driver)": [[398, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1704, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1704, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1704, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1704, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1704, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1704, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1704, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1704, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1704, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[277, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1704, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1704, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[256, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[278, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1776, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [284, "index-0", false], [1740, "index-1", false], [1741, "index-0", false], [1742, "index-0", false], [1753, "index-0", false], [1755, "index-1", false], [1756, "index-1", false], [1757, "index-0", false], [1763, "index-1", false], [1770, "index-0", false], [1789, "index-1", false], [1798, "index-1", false], [1799, "index-0", false], [1837, "index-0", false], [1838, "index-1", false], [1841, "index-1", false]], "thermal energy": [[1776, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1776, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[390, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1704, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1704, "term-THICKNESS-SCF", true]], "threading": [[1767, "index-6", false], [1767, "index-9", false]], "three_particle (dct)": [[1704, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[141, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1704, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1704, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1704, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1704, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1704, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[257, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[258, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[140, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[86, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[86, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[86, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[86, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[86, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1704, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1704, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[142, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transform", false]], "transform_ci_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_ci_integrals", false]], "transform_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_mcscf_integrals", false]], "transform_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei", false]], "transform_tei_first_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_first_half", false]], "transform_tei_second_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_second_half", false]], "transition state": [[1802, "index-2", false]], "translate() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.translate", false]], "translate_psi4 (cfour)": [[1704, "term-TRANSLATE_PSI4-CFOUR", true]], "transpose() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transpose", false]], "transpose() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose", false]], "transpose() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transpose", false]], "transpose_this() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose_this", false]], "tree_expansion_order (pe)": [[1704, "term-TREE_EXPANSION_ORDER-PE", true]], "tree_theta (pe)": [[1704, "term-TREE_THETA-PE", true]], "triples_algorithm (psimrcc)": [[1704, "term-TRIPLES_ALGORITHM-PSIMRCC", true]], "triples_diis (psimrcc)": [[1704, "term-TRIPLES_DIIS-PSIMRCC", true]], "triples_iabc_type (dfocc)": [[1704, "term-TRIPLES_IABC_TYPE-DFOCC", true]], "triples_low_memory (fnocc)": [[1704, "term-TRIPLES_LOW_MEMORY-FNOCC", true]], "triplet() (in module psi4.core)": [[259, "psi4.core.triplet", false]], "triplet() (psi4.core.matrix static method)": [[100, "psi4.core.Matrix.triplet", false]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.trove", false]], "true_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.true_atomic_number", false]], "tstart() (in module psi4.core)": [[260, "psi4.core.tstart", false]], "tstop() (in module psi4.core)": [[261, "psi4.core.tstop", false]], "turn_on_actv 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SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-1-SINGLES-ENERGY", "CEPA(1) SINGLES ENERGY"], [1776, 9, 1, "psivar-CEPA-1-TOTAL-ENERGY", "CEPA(1) TOTAL ENERGY"], [1776, 9, 1, "psivar-CEPA-2-CORRELATION-ENERGY", "CEPA(2) CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-2-DOUBLES-ENERGY", "CEPA(2) DOUBLES ENERGY"], [1776, 9, 1, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", "CEPA(2) OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", "CEPA(2) SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-2-SINGLES-ENERGY", "CEPA(2) SINGLES ENERGY"], [1776, 9, 1, "psivar-CEPA-2-TOTAL-ENERGY", "CEPA(2) TOTAL ENERGY"], [1776, 9, 1, "psivar-CEPA-3-CORRELATION-ENERGY", "CEPA(3) CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-3-DOUBLES-ENERGY", "CEPA(3) DOUBLES ENERGY"], [1776, 9, 1, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", "CEPA(3) OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", "CEPA(3) SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-3-SINGLES-ENERGY", "CEPA(3) SINGLES ENERGY"], [1776, 9, 1, "psivar-CEPA-3-TOTAL-ENERGY", "CEPA(3) TOTAL ENERGY"], [1776, 9, 1, "psivar-CFOUR-ERROR-CODE", "CFOUR ERROR CODE"], [1776, 9, 1, "psivar-CI-CORRELATION-ENERGY", "CI CORRELATION ENERGY"], [1776, 9, 1, "psivar-CI-DIPOLE", "CI DIPOLE"], [1776, 9, 1, "psivar-CI-QUADRUPOLE", "CI QUADRUPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", "CI ROOT n -&gt; ROOT m DIPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-ROOT-m-QUADRUPOLE", "CI ROOT n -&gt; ROOT m QUADRUPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-CORRELATION-ENERGY", "CI ROOT n CORRELATION ENERGY"], [1776, 9, 1, "psivar-CI-ROOT-n-DIPOLE", "CI ROOT n DIPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-QUADRUPOLE", "CI ROOT n QUADRUPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-TOTAL-ENERGY", "CI ROOT n TOTAL ENERGY"], [1776, 9, 1, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", "CI STATE-AVERAGED CORRELATION ENERGY"], [1776, 9, 1, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", "CI STATE-AVERAGED TOTAL ENERGY"], [1776, 9, 1, "psivar-CI-TOTAL-ENERGY", "CI TOTAL ENERGY"], [1776, 9, 1, "psivar-CISD-CORRELATION-ENERGY", "CISD CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISD-DIPOLE", "CISD DIPOLE"], [1776, 9, 1, "psivar-CISD-DOUBLES-ENERGY", "CISD DOUBLES ENERGY"], [1776, 9, 1, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "CISD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1776, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1776, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1776, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1776, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1776, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1776, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1767, 10, 1, "-", "CONDA_PREFIX"], [1776, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1738, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1738, 10, 1, "-", "CRAY_ADD_RPATH"], [1776, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1776, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1776, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1776, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1776, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1776, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1776, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1776, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1776, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1776, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1776, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1776, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1776, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1776, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1776, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1776, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1776, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1776, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1776, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1776, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1776, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1776, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1776, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1776, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1776, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1776, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1776, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1776, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1776, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1776, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1776, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1776, 9, 1, "-", "ENTHALPY"], [1776, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1776, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1776, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1776, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1776, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1776, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1776, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1776, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1776, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1776, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1776, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1776, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1776, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1776, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1776, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1776, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1776, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1767, 10, 1, "-", "HOST"], [1776, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1776, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1776, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1776, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1776, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1738, 10, 1, "-", "MATH_ROOT"], [1776, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1776, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1776, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1776, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1776, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1776, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1776, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1776, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1776, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1776, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1767, 10, 1, "-", "MKL_NUM_THREADS"], [1738, 10, 1, "-", "MKL_ROOT"], [1750, 10, 1, "-", "MONTAGE"], [1776, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1776, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1776, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1776, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1776, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1776, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1776, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1776, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1776, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1776, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1776, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1776, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1776, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1776, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1776, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1776, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1776, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1776, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1767, 10, 1, "-", "OMP_NESTED"], [1767, 10, 1, "-", "OMP_NUM_THREADS"], [1776, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1776, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1776, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1767, 10, 1, "-", "PATH"], [1776, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1776, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1767, 10, 1, "-", "PSIDATADIR"], [1767, 10, 1, "-", "PSIPATH"], [1767, 10, 1, "-", "PSI_SCRATCH"], [1767, 10, 1, "-", "PYTHONPATH"], [1776, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1776, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1776, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1776, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1776, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1776, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1776, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1776, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1776, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1776, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1776, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1776, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1776, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1776, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1776, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1776, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1776, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1776, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1776, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1776, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1776, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1776, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1776, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1776, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1776, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1776, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1776, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1776, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1776, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1776, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1776, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1776, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1776, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1776, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1776, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1776, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1776, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", "TD-fctl ROOT n (IN h) TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", "TD-fctl ROOT n (h) TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", "TD-fctl ROOT n TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", "TD-fctl ROOT n TOTAL ENERGY - h TRANSITION"], [1776, 9, 1, "psivar-THERMAL-ENERGY", "THERMAL ENERGY"], [1776, 9, 1, "psivar-THERMAL-ENERGY-CORRECTION", "THERMAL ENERGY CORRECTION"], [1776, 9, 1, "psivar-TWO-ELECTRON-ENERGY", "TWO-ELECTRON ENERGY"], [1776, 9, 1, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", "UNCP-CORRECTED 2-BODY INTERACTION ENERGY"], [1750, 10, 1, "-", "VMDPATH"], [1776, 9, 1, "psivar-WIBERG-LOWDIN-INDICES", "WIBERG LOWDIN INDICES"], [1776, 9, 1, "psivar-ZAPTn-CORRELATION-ENERGY", "ZAPTn CORRELATION ENERGY"], [1776, 9, 1, "psivar-ZAPTn-TOTAL-ENERGY", "ZAPTn TOTAL ENERGY"], [1776, 9, 1, "psivar-ZERO-K-ENTHALPY", "ZERO K ENTHALPY"], [1776, 9, 1, "-", "ZPVE"], [1776, 9, 1, "psivar-T-CORRECTION-ENERGY", "[T] CORRECTION ENERGY"], [1776, 9, 1, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", "db_name DATABASE MEAN ABSOLUTE DEVIATION"], [1776, 9, 1, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", "db_name DATABASE MEAN SIGNED DEVIATION"], [1776, 9, 1, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", "db_name DATABASE ROOT-MEAN-SQUARE DEVIATION"], [1776, 9, 1, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", "fctl DISPERSION CORRECTION ENERGY"], [1776, 9, 1, "psivar-mtd-128-POLE", "mtd 128-POLE"], [1776, 9, 1, "psivar-mtd-32-POLE", "mtd 32-POLE"], [1776, 9, 1, "psivar-mtd-64-POLE", "mtd 64-POLE"], [1776, 9, 1, "psivar-mtd-DIPOLE", "mtd DIPOLE"], [1776, 9, 1, "psivar-mtd-HEXADECAPOLE", "mtd HEXADECAPOLE"], [1776, 9, 1, "psivar-mtd-OCTUPOLE", "mtd OCTUPOLE"], [1776, 9, 1, "psivar-mtd-QUADRUPOLE", "mtd QUADRUPOLE"]], "CUSTOM SCS-MP2": [[1776, 9, 1, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "CUSTOM SCS-OMP2": [[1776, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "MP2": [[1776, 9, 1, "psivar-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2.5-SINGLES-ENERGY", "5 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "NBODY (i, j, ..., k)@(a, b, ..": [[1776, 9, 1, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", ", c) TOTAL ENERGY"]], "OMP2": [[1776, 9, 1, "psivar-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, 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F. Herbst and M. Scheurer", "Test Suite", "AOShellCombinationsIterator", "AngularMomentumInt", "BSVec", "BasisExtents", "BasisFunctions", "BasisSet", "BlockOPoints", "BoysLocalizer", "CCWavefunction", "CIVector", "CIWavefunction", "CUHF", "CdSalc", "CdSalcList", "CharacterTable", "CompositeJK", "CorrelationFactor", "CorrelationTable", "CubeProperties", "DASUM", "DAXPY", "DCOPY", "DDOT", "DFEP2Wavefunction", "DFHelper", "DFSOMCSCF", "DFTGrid", "DFTensor", "DGBMV", "DGEEV", "DGEMM", "DGEMV", "DGER", "DGETRF", "DGETRI", "DGETRS", "DNRM2", "DPOTRF", "DPOTRI", "DPOTRS", "DROT", "DSBMV", "DSCAL", "DSWAP", "DSYEV", "DSYMM", "DSYMV", "DSYR", "DSYR2", "DSYR2K", "DSYRK", "DSYSV", "DTBMV", "DTBSV", "DTRMM", "DTRMV", "DTRSM", "DTRSV", "Deriv", "DerivCalcType", "DiagonalizeOrder", "Dimension", "DipoleInt", "DirectJK", "DiskSOMCSCF", "Dispersion", "ERI", "ESPPropCalc", "ElectricFieldInt", "ElectrostaticInt", "ExternalPotential", "FCHKWriter", "FDDS_Dispersion", "FISAPT", "FittedSlaterCorrelationFactor", "FittingMetric", "FragmentType", "Functional", "GaussianShell", "GaussianType", "GeometryUnits", "HF", "IDAMAX", "IO", "IOManager", "IntVector", "IntegralFactory", "IntegralTransform", "IrreducibleRepresentation", "JK", "KineticInt", "LS_THC_Computer", "LaplaceDenominator", "LibXCFunctional", "Localizer", "MOSpace", "MOWriter", "Matrix", "MatrixFactory", "MemDFJK", "MintsHelper", "MoldenWriter", "MolecularGrid", "Molecule", "MultipoleInt", "MultipoleSymmetry", "NablaInt", "NumIntHelper", "OEProp", "OneBodyAOInt", "OneBodySOInt", "Options", "OrbitalSpace", "OverlapInt", "PMLocalizer", "PetiteList", "PointFunctions", "PointGroup", "PotentialInt", "PrimitiveType", "Prop", "ProtoIntVector", "ProtoVector", "PsiReturnType", "QuadrupoleInt", "RHF", "RKSFunctions", "ROHF", "SADGuess", "SOBasisSet", "SOMCSCF", "SalcComponent", "SaveType", "ShellInfo", "Slice", "SuperFunctional", "SymmetryOperation", "TLaplaceDenominator", "ThreeCenterOverlapInt", "TracelessQuadrupoleInt", "TwoBodyAOInt", "TwoElectronInt", "UHF", "UKSFunctions", "VBase", "Vector", "Vector3", "Wavefunction", "array_variable", "array_variables", "be_quiet", "benchmark_blas1", "benchmark_blas2", "benchmark_blas3", "benchmark_disk", "benchmark_integrals", "benchmark_math", "ccdensity", "ccenergy", "cceom", "cchbar", "cclambda", "ccresponse", "cctransort", "cctriples", "clean", "clean_options", "clean_timers", "clean_variables", "close_outfile", "dct", "del_array_variable", "del_scalar_variable", "del_variable", "detci", "dfmp2", "dfocc", "dlpno", "dmrg", "doublet", "dpdbuf4", "dpdfile2", "dummy_einsums", "dummy_integratorxx", "fcidump_tei_helper", "finalize", "flush_outfile", "fnocc", "get_active_molecule", "get_array_variable", "get_array_variables", "get_datadir", "get_global_option", "get_global_option_list", "get_local_option", "get_memory", "get_num_threads", "get_option", "get_options", "get_output_file", "get_variable", "get_variables", "get_writer_file_prefix", "git_version", "has_array_variable", "has_global_option_changed", "has_local_option_changed", "has_option_changed", "has_scalar_variable", "has_variable", "initialize", "libint2_solid_harmonics_ordering", "mcscf", "mrcc_generate_input", "mrcc_load_densities", "occ", "option_exists_in_module", "options_to_python", "outfile_name", "plugin", "plugin_close", "plugin_close_all", "plugin_load", "prepare_options_for_module", "print_global_options", "print_options", "print_out", "print_variables", "psi_top_srcdir", "psimrcc", "psio_entry", "reopen_outfile", "revoke_global_option_changed", "revoke_local_option_changed", "sapt", "scalar_variable", "scalar_variables", "scatter", "scfgrad", "scfhess", "set_active_molecule", "set_array_variable", "set_datadir", "set_global_option", "set_global_option_python", "set_local_option", "set_local_option_python", "set_memory_bytes", "set_num_threads", "set_output_file", "set_psi_file_prefix", "set_scalar_variable", "set_variable", "test_matrix_dpd_interface", "timer_off", "timer_on", "triplet", "tstart", "tstop", "variable", "variables", "version", "AtomicComputer", "ConvergenceError", "EmpiricalDispersion", "ManagedMethodError", "MissingMethodError", "OptimizationConvergenceError", "ParsingError", "PastureRequiredError", "PsiException", "QMMM", "QMMMbohr", "SCFConvergenceError", "TDSCFConvergenceError", "TestComparisonError", "UpgradeHelper", "ValidationError", "activate", "banner", "basis_helper", "cbs", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "create_plugin", "cubeprop", "docs_table_link", "dynamic_variable_bind", "energies_from_fcidump", "energy", "fchk", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "freq", "frequencies", "frequency", "gdma", "geometry", "get_memory", "gradient", "hessian", "ipi_broker", "levenshtein", "libint2_configuration", "libint2_print_out", "mdi_run", "message_box", "molden", "molecule_get_attr", "molecule_set_attr", "oeprop", "opt", "optimize", "optimize_geometric", "DIIS", "Gaussian", "InPsight", "Lineshape", "Lorentzian", "OptionState", "OptionsState", "OptionsStateCM", "SolverEngine", "all_casings", "array_to_matrix", "banner", "basis_helper", "block_diagonal_array", "cg_solver", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "cubeprop", "davidson_solver", "docs_table_link", "drop_duplicates", "energies_from_fcidump", "expand_psivars", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "format_molecule_for_input", "format_options_for_input", "free_atom_volumes", "get_memory", "get_psifile", "getattr_ignorecase", "hamiltonian_solver", "hold_options_state", "import_ignorecase", "kwargs_lower", "levenshtein", "libint2_configuration", "libint2_print_out", "mat2arr", "message_box", "oeprop", "pcm_helper", "plump_qcvar", "prefactor_ecd", "prefactor_opa", "prepare_options_for_modules", "prepare_options_for_set_options", "provenance_stamp", "sanitize_method", "set_memory", "set_module_options", "set_options", "spectrum", "state_to_atomicinput", "pcm_helper", "process_input", "prop", "properties", "compare_vibinfos", "filter_nonvib", "filter_omega_to_real", "harmonic_analysis", "hessian_symmetrize", "print_molden_vibs", "print_vibs", "thermo", "sanitize_method", "sanitize_name", "scf_helper", "scf_wavefunction_factory", "set_memory", "set_module_options", "set_options", "tdscf", "vibanal_wfn", "Appendices", "<span class=\"xref std std-term\">CUTOFF_AMPS_PRINT</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">KIND</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">NUM_GUESSES</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">OPDM_ONLY</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITE_NOS</span>", "<span class=\"xref std std-term\">XI</span>", "<span class=\"xref std std-term\">XI_CONNECT</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">BCCD_MAXITER</span>", "<span class=\"xref std std-term\">BRUECKNER_ORBS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CC_OS_SCALE</span>", "<span class=\"xref std std-term\">CC_SS_SCALE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FORCE_RESTART</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_ALGORITHM</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">DOI_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DOI_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DOI_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DOI_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">LS_THC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">LS_THC_DF</span>", "<span class=\"xref std std-term\">LS_THC_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">LS_THC_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_S_EPSILON</span>", "<span class=\"xref std std-term\">LS_THC_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">CUSTOM_COORDS</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_ALL_DIHEDRALS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">UNFREEZE_DIHEDRALS</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SNLINK_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">SNLINK_GPU_MEM</span>", "<span class=\"xref std std-term\">SNLINK_GRID_BATCH_SIZE</span>", "<span class=\"xref std std-term\">SNLINK_INTEGRATOR_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_LOAD_BALANCER_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_LWD_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_MOL_WEIGHTS_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">SNLINK_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">SNLINK_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">SNLINK_REDUCTION_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">SNLINK_USE_DEBUG_GRID</span>", "<span class=\"xref std std-term\">SNLINK_USE_GPU</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "BAKERJCC96", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. Pritchard", "Embarrassing Parallelism", "TDSCF: Time-dependent Hartree\u2013Fock and density-functional theory", "Test Suite and Sample Inputs", "Vibrational and Thermochemical Analysis", "Psithon Tutorial: Using <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> as an Executable"], "titleterms": {"": [884, 1210, 1735, 1738, 1746, 1759, 1774, 1785, 1837], "0": 1821, "1": [1733, 1770, 1838], "2": 1788, "2nd": 1756, "3": 1788, "3rc1": 1788, "4": [1694, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1706, 1707, 1708, 1731, 1732, 1733, 1735, 1736, 1737, 1738, 1739, 1742, 1743, 1746, 1748, 1758, 1764, 1777, 1778, 1780, 1781, 1797, 1799, 1802, 1804, 1810, 1814, 1815, 1816, 1817, 1818, 1819, 1824, 1825, 1827, 1830, 1833, 1838, 1844], "8": 1788, "82": [1694, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1706, 1707, 1708, 1731, 1732, 1733, 1735, 1736, 1737, 1739, 1742, 1743, 1746, 1748, 1758, 1764, 1777, 1778, 1780, 1781, 1797, 1799, 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"algebra": [1781, 1810], "algorithm": [726, 1208, 1210, 1226, 1231, 1739, 1742, 1753, 1756, 1757, 1771, 1781, 1798, 1817, 1838], "alia": 1834, "alias": 1740, "all": [1758, 1787, 1801], "all_cas": 330, "allow": 1799, "alpha": [1704, 1776], "altern": [1210, 1739], "an": [1748, 1785, 1786, 1832, 1844], "ana": 1748, "anaconda": 1738, "analysi": [1770, 1772, 1775, 1828, 1838, 1843, 1844], "analyt": [1739, 1742, 1753, 1756, 1757, 1771, 1781, 1798], "analyz": [429, 536, 1199, 1203], "angular": 1738, "angularmomentumint": 4, "annot": 1786, "annual": 1788, "anticip": 1788, "ao": 1810, "ao_basi": [411, 430, 513, 557, 727, 1198, 1199, 1202, 1204, 1208], "aoshellcombinationsiter": 3, "api": [1740, 1768, 1772, 1794, 1827], "appendic": 400, "appli": 1747, "approach": 1808, "approv": 1738, "approxim": [1771, 1837], "ar": 1738, "arbitrari": 1755, "arrai": 1797, "array_to_matrix": 331, "array_vari": [151, 152], "ascii": 1786, "assembl": 1788, "atom": 1833, "atomiccomput": 265, "author": 1788, "auto": 1821, "auxiliari": [1694, 1708, 1732], "auxiliary_bond_factor": [1226, 1299], "avail": [0, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1707, 1731, 1733, 1738, 1752, 1758, 1781, 1802, 1817, 1838], "avg_stat": [783, 1210], "avg_weight": [784, 1210], "avoid": 1824, "b": [1762, 1839], "b_ras3_max": [785, 1210], "bakerjcc93": [1692, 1752], "bakerjcc96": [1692, 1752], "banner": [282, 332], "base": [1754, 1763, 1810], "basi": [400, 898, 1195, 1212, 1223, 1230, 1231, 1437, 1484, 1694, 1707, 1730, 1731, 1732, 1733, 1738, 1740, 1771, 1794, 1799, 1832, 1836, 1837], "basic": [1692, 1742, 1752, 1755, 1771, 1789, 1797, 1798, 1799, 1802, 1828, 1837, 1844], "basis_guess": [1231, 1485], "basis_help": [283, 333], "basis_relativist": [1103, 1221, 1836], "basisext": 6, "basisfunct": 7, "basisset": 8, "bbi": [1692, 1752], "bccd_maxit": [431, 1199], "be_quiet": 153, "befor": 1788, "bench": [1104, 1221], "bench12": [1692, 1752], "benchmark_blas1": 154, "benchmark_blas2": 155, "benchmark_blas3": 156, "benchmark_disk": 157, "benchmark_integr": 158, "benchmark_math": 159, "bendazzoli": [786, 1210], "bibliographi": 1734, "binari": [1736, 1737, 1748, 1808], "bla": [1738, 1810], "block": 1817, "block_diagonal_arrai": 334, "blockopoint": 9, "bodi": [1759, 1771], "bond": [1833, 1837], "border": [1228, 1378, 1749], "border_n_redist": [1228, 1379, 1749], "border_redist_ord": [1228, 1380, 1749], "border_redist_pol": [1228, 1381, 1749], "border_rmin": [1228, 1382, 1749], "border_rmin_unit": [1228, 1383, 1749], "border_typ": [1228, 1384, 1749], "bot": 1822, "boysloc": 10, "bra": 1817, "branch": 1788, "brianqc": [1710, 1735], "brianqc_en": [1105, 1221, 1735], "broken": 1838, "brueckner_maxit": [1066, 1219], "brueckner_orbs_r_converg": [432, 1199, 1742], "bsvec": 5, "buffer": 1817, "bug": 1816, "build": [1, 1735, 1736, 1738, 1746, 1749, 1754, 1762, 1765, 1773, 1775, 1782, 1783, 1784, 1785, 1788, 1803, 1839], "built": [1730, 1735], "bump": 1786, "c": [1738, 1814, 1821, 1823, 1827], "cachelevel": [412, 433, 466, 507, 514, 537, 558, 728, 1198, 1199, 1200, 1201, 1202, 1203, 1204, 1208, 1225, 1242, 1742], "cachetyp": [434, 467, 1199, 1200, 1742], "calc_s_squar": [787, 1210], "calcul": [0, 1742, 1828, 1831, 1838, 1844], "call": [1810, 1817], "cannot": 1786, "canonicalize_active_favg": [1171, 1222], "canonicalize_inactive_favg": [1172, 1222], "capabl": [0, 1738, 1739, 1742, 1746, 1756, 1757, 1771, 1780, 1781, 1798, 1799], "cart_hess_read": [1226, 1300], "cartesian_sym_toler": [1226, 1301], "case": 2, "caviti": 1754, "cb": 284, "cc": [788, 1210, 1742, 1781, 1785], "cc3_follow_root": [468, 1200], "cc_a_ras3_max": [789, 1210], "cc_b_ras3_max": [790, 1210], "cc_diis_max_vec": [911, 1213], "cc_diis_min_vec": [912, 1213], "cc_ex_level": [791, 1210], "cc_fix_extern": [792, 1210], "cc_fix_external_min": [793, 1210], "cc_lambda": [913, 1213], "cc_macro": [794, 1210], "cc_maxit": [914, 1213, 1225, 1243], "cc_mix": [795, 1210], "cc_num_thread": [435, 469, 564, 1199, 1200, 1205, 1229, 1397], 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"cepa_sos_scal": [1225, 1246], "cepa_ss_scal": [1225, 1247], "cepa_typ": [1225, 1248], "cfour": [1206, 1670, 1711, 1743], "cfour_abcdtyp": [568, 1206], "cfour_active_orbi": [569, 1206], "cfour_anh_algorithm": [570, 1206], "cfour_anh_deriv": [571, 1206], "cfour_anh_steps": [572, 1206], "cfour_anh_symmetri": [573, 1206], "cfour_anharmon": [574, 1206], "cfour_ao_ladd": [575, 1206], "cfour_av_scf": [576, 1206], "cfour_basi": [577, 1206], "cfour_bruck_conv": [578, 1206], "cfour_brueckn": [579, 1206], "cfour_cache_rec": [580, 1206], "cfour_calc_level": [581, 1206], "cfour_cc_conv": [582, 1206], "cfour_cc_expord": [583, 1206], "cfour_cc_extrapol": [584, 1206], "cfour_cc_maxcyc": [585, 1206], "cfour_cc_program": [586, 1206], "cfour_charg": [587, 1206], "cfour_cis_conv": [588, 1206], "cfour_continuum": [589, 1206], "cfour_contract": [590, 1206], "cfour_converg": [591, 1206], "cfour_coordin": [592, 1206], "cfour_core_orbit": [593, 1206], "cfour_cphf_conv": [594, 1206], "cfour_cphf_maxcyc": [595, 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[627, 1206], "cfour_genbas_1": [628, 1206], "cfour_genbas_2": [629, 1206], "cfour_genbas_3": [630, 1206], "cfour_genbas_4": [631, 1206], "cfour_geo_conv": [632, 1206], "cfour_geo_maxcyc": [633, 1206], "cfour_geo_maxstep": [634, 1206], "cfour_geo_method": [635, 1206], "cfour_giao": [636, 1206], "cfour_grid": [637, 1206], "cfour_guess": [638, 1206], "cfour_hbar": [639, 1206], "cfour_hfstabl": [640, 1206], "cfour_incor": [641, 1206], "cfour_input_mrcc": [642, 1206], "cfour_integr": [643, 1206], "cfour_joda_print": [644, 1206], "cfour_lineq_conv": [645, 1206], "cfour_lineq_maxci": [646, 1206], "cfour_lineq_typ": [647, 1206], "cfour_lock_orbocc": [648, 1206], "cfour_maxstep": [649, 1206], "cfour_mem_unit": [650, 1206], "cfour_memory_s": [651, 1206], "cfour_method": [652, 1206], "cfour_mrcc": [653, 1206], "cfour_multipl": [654, 1206], "cfour_nacoupl": [655, 1206], "cfour_negev": [656, 1206], "cfour_newnorm": [657, 1206], "cfour_nonhf": [658, 1206], "cfour_ntop_tamp": [659, 1206], 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1231, 1574], "local_method": [444, 482, 521, 545, 1199, 1200, 1202, 1203], "local_pairdef": [445, 522, 546, 1199, 1202, 1203], "local_precondition": [483, 1200], "local_use_ghost": [1061, 1218], "local_weakp": [446, 484, 523, 547, 1199, 1200, 1202, 1203], "locat": 1786, "lock_singlet": [1229, 1415], "log": 1738, "logo": 1738, "long": [1701, 1758, 1788], "loop": 1832, "lorentzian": 325, "low": 1810, "ls_thc_basis_toler": [1131, 1221], "ls_thc_comput": 94, "ls_thc_df": [1132, 1221], "ls_thc_pruning_schem": [1133, 1221], "ls_thc_radial_point": [1134, 1221], "ls_thc_s_epsilon": [1135, 1221], "ls_thc_spherical_point": [1136, 1221], "ls_thc_weights_toler": [1137, 1221], "lse": [839, 1210], "lse_collaps": [840, 1210], "lse_toler": [841, 1210], "lto": 1746, "m": [1, 1749, 1754, 1762, 1784, 1792], "mac": 1738, "macport": 1738, "made": [1828, 1844], "madmp2_sleep": [906, 1212], "mai": 1738, "make_shar": 1821, "manag": [1736, 1786, 1787, 1809], "managedmethoderror": 268, "mani": 1771, "manipul": 1757, "manual": [1747, 1764, 1777], "map": 1764, "mark": 1821, "marqu": 1784, "mat2arr": 363, "mat_num_column_print": [1138, 1221], "math": 1764, "matric": 1210, "matrix": [100, 1746, 1781, 1797, 1810], "matrixfactori": 101, "max_attempt": [1231, 1575], "max_ccd_diisvec": [1230, 1456], "max_disp_g_converg": [1226, 1349], "max_energy_g_converg": [1226, 1350], "max_force_g_converg": [1226, 1351], "max_mem_buf": [1231, 1576], "max_mograd_converg": [930, 1213, 1225, 1266, 1798], "max_num_vec": [1, 404, 842, 1197, 1210], "max_radial_mo": [1139, 1221], "maxit": [1, 405, 447, 485, 524, 548, 741, 1062, 1080, 1185, 1197, 1199, 1200, 1202, 1203, 1208, 1218, 1219, 1222, 1228, 1229, 1230, 1231, 1391, 1416, 1457, 1577, 1742, 1749, 1771, 1837], "mbis_d_converg": [1140, 1221], "mbis_maxit": [1141, 1221], "mbis_pruning_schem": [1142, 1221], "mbis_radial_point": [1143, 1221], "mbis_spherical_point": [1144, 1221], "mcscf": [215, 1210, 1222, 1682, 1789], "mcscf_algorithm": [843, 1210, 1789], 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"without": [1738, 1786, 1837], "wolf": 1762, "workflow": [1737, 1814], "worth": 1738, "wouter": 1746, "wrapper": [1810, 1832], "write_no": [424, 1198], "write_opt_histori": [1226, 1372], "write_opt_result": [1226, 1373], "write_trajectori": [1226, 1374], "writer_file_label": [1170, 1221, 1772, 1791], "xi": [425, 1198], "xi_connect": [426, 1198], "yapf": 1747, "year": 1788, "your": [1747, 1820], "zero_internal_amp": [1229, 1434], "zeta": [427, 534, 1198, 1202]}})
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index 7461506b091..e9a48fabdf8 100644
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-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -572,7 +572,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -586,7 +586,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9564b5cb7a3..d86ad6e7b09 100644
--- a/sphinxman/master/testsuite.html
+++ b/sphinxman/master/testsuite.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1723,7 +1723,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/testsuite.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1737,7 +1737,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/thermo.html b/sphinxman/master/thermo.html
index 67915f1edee..575679097de 100644
--- a/sphinxman/master/thermo.html
+++ b/sphinxman/master/thermo.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/thermo.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -281,7 +281,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/thermo.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/tutorial.html b/sphinxman/master/tutorial.html
index 3fb6ef3fc86..39ec1819e47 100644
--- a/sphinxman/master/tutorial.html
+++ b/sphinxman/master/tutorial.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=44caddb6"></script>
+    <script src="_static/documentation_options.js?v=3583bb1d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -715,7 +715,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/tutorial.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/45660d8">1.10a1.dev53</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/7bfb86a">1.10a1.dev54</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -729,7 +729,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 05 September 2024 04:11AM.
+      Last updated on Monday, 09 September 2024 08:09PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->