Merge branch 'v2.8' into v2.9

plumed · Oct 4, 2023 · 76121b6 · 76121b6 · PlumedBot · Oct 4, 2023
2 parents 0eadf00 + 029d521
commit 76121b6
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Showing 3 changed files with 12 additions and 5 deletions.
diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
@@ -25,7 +25,9 @@ jobs:
         - -coverage-mpi-
         - -debug-
         - -debug-mpi-
-        - -intel-
+# temporarily commented out
+# see https://github.com/plumed/plumed2/issues/976
+#        - -intel-
     steps:
     - uses: actions/checkout@v3
     - uses: actions/cache@v3

diff --git a/src/opes/OPESmetad.cpp b/src/opes/OPESmetad.cpp
@@ -944,7 +944,7 @@ OPESmetad<mode>::OPESmetad(const ActionOptions& ao)
   log.printf("  Bibliography: ");
   log<<plumed.cite("M. Invernizzi and M. Parrinello, J. Phys. Chem. Lett. 11, 2731-2736 (2020)");
   if(mode::explore || adaptive_sigma_)
-    log<<plumed.cite("M. Invernizzi and M. Parrinello, preprint arXiv:2201.09950 (2022)");
+    log<<plumed.cite("M. Invernizzi and M. Parrinello, J. Chem. Theory Comput. 18, 3988-3996 (2022)");
   log.printf("\n");
 }
 

diff --git a/user-doc/bibliography.bib b/user-doc/bibliography.bib
@@ -3130,11 +3130,16 @@ @article{Invernizzi2020unified
 
 %%% OPES %%%
 @article{Invernizzi2022explore,
-  title = {Exploration vs Convergence Speed in Adaptive-bias Enhanced Sampling},
+  title = {Exploration vs Convergence Speed in Adaptive-Bias Enhanced Sampling},
   author = {Invernizzi, Michele and Parrinello, Michele},
-  journal = {preprint arXiv:2201.09950},
+  journal = {Journal of Chemical Theory and Computation},
+  volume = {18},
+  number = {6},
+  pages = {3988-3996},
   year = {2022},
-  url = {https://arxiv.org/abs/2201.09950}
+  doi = {10.1021/acs.jctc.2c00152},
+  url = {https://doi.org/10.1021/acs.jctc.2c00152},
+  arxivId = {2201.09950}
 }
 
 @article{limongelli2013funnel,