From f616dc55c246fe4b5a0b3bafa95fb0308ca40a1e Mon Sep 17 00:00:00 2001
From: Tomas Jira <tom.jira@gmail.com>
Date: Sun, 11 Feb 2024 18:15:46 +0100
Subject: [PATCH] tests are now created manually

---
 CMakeLists.txt                     |   24 +-
 CMakeTests.txt                     | 1794 +---------------------------
 script/testing.sh                  |   68 --
 test/{rfci.cpp => rfci_energy.cpp} |    0
 test/{rhf.cpp => rhf_energy.cpp}   |    0
 test/{rmp2.cpp => rmp2_energy.cpp} |    0
 test/{uhf.cpp => uhf_energy.cpp}   |    0
 7 files changed, 24 insertions(+), 1862 deletions(-)
 delete mode 100755 script/testing.sh
 rename test/{rfci.cpp => rfci_energy.cpp} (100%)
 rename test/{rhf.cpp => rhf_energy.cpp} (100%)
 rename test/{rmp2.cpp => rmp2_energy.cpp} (100%)
 rename test/{uhf.cpp => uhf_energy.cpp} (100%)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a84db87..dd68d28 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -79,22 +79,22 @@ enable_testing()
 
 if (BUILD_TESTING)
     # add test executables
-    add_executable(test_rmp2 test/rmp2.cpp)
-    add_executable(test_rfci test/rfci.cpp)
-    add_executable(test_rhf test/rhf.cpp)
-    add_executable(test_uhf test/uhf.cpp)
+    add_executable(test_rhf_energy test/rhf_energy.cpp)
+    add_executable(test_rmp2_energy test/rmp2_energy.cpp)
+    add_executable(test_rfci_energy test/rfci_energy.cpp)
+    add_executable(test_uhf_energy test/uhf_energy.cpp)
 
     # link the test executables to the library
-    target_link_libraries(test_rmp2 acorn)
-    target_link_libraries(test_rfci acorn)
-    target_link_libraries(test_rhf acorn)
-    target_link_libraries(test_uhf acorn)
+    target_link_libraries(test_rhf_energy acorn)
+    target_link_libraries(test_rmp2_energy acorn)
+    target_link_libraries(test_rfci_energy acorn)
+    target_link_libraries(test_uhf_energy acorn)
 
     # change the output folder for the test executables
-    set_target_properties(test_rmp2 PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
-    set_target_properties(test_rfci PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
-    set_target_properties(test_rhf PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
-    set_target_properties(test_uhf PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
+    set_target_properties(test_rhf_energy PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
+    set_target_properties(test_rmp2_energy PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
+    set_target_properties(test_rfci_energy PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
+    set_target_properties(test_uhf_energy PROPERTIES RUNTIME_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/bin/test)
 endif()
 
 # include test file
diff --git a/CMakeTests.txt b/CMakeTests.txt
index 17d4843..14aab98 100644
--- a/CMakeTests.txt
+++ b/CMakeTests.txt
@@ -1,1785 +1,15 @@
-# this file is for definitions of tests and can be generated by the testing.sh script in the script folder
+# final restricted HF energy
+add_test(NAME rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf_energy water sto-3g)
+set_tests_properties(rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-74.96590119")
 
-# test-energy: Ar2 0 1 3-21G RHF
-add_test(NAME Ar2_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 3-21g)
-set_tests_properties(Ar2_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1048.68592493")
+# final restricted MP2 energy
+add_test(NAME rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2_energy water sto-3g)
+set_tests_properties(rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.00485492")
 
-# test-energy: Ar2 0 1 3-21G RMP2
-add_test(NAME Ar2_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 3-21g)
-set_tests_properties(Ar2_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1048.77029398")
+# final restricted FCI energy
+add_test(NAME rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci_energy water sto-3g)
+set_tests_properties(rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.02041033")
 
-# test-energy: Ar2 0 1 6-311GSS RHF
-add_test(NAME Ar2_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 6-311gss)
-set_tests_properties(Ar2_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.61325265")
-
-# test-energy: Ar2 0 1 6-31G RHF
-add_test(NAME Ar2_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 6-31g)
-set_tests_properties(Ar2_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.54430221")
-
-# test-energy: Ar2 0 1 6-31G RMP2
-add_test(NAME Ar2_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 6-31g)
-set_tests_properties(Ar2_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.61677696")
-
-# test-energy: Ar2 0 1 6-31GS RHF
-add_test(NAME Ar2_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 6-31gs)
-set_tests_properties(Ar2_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.54748987")
-
-# test-energy: Ar2 0 1 6-31GS RMP2
-add_test(NAME Ar2_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 6-31gs)
-set_tests_properties(Ar2_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.83998780")
-
-# test-energy: Ar2 0 1 6-31GSS RHF
-add_test(NAME Ar2_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 6-31gss)
-set_tests_properties(Ar2_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.54748987")
-
-# test-energy: Ar2 0 1 6-31GSS RMP2
-add_test(NAME Ar2_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 6-31gss)
-set_tests_properties(Ar2_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.83998780")
-
-# test-energy: Ar2 0 1 AUG-CC-PVDZ RHF
-add_test(NAME Ar2_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 aug-cc-pvdz)
-set_tests_properties(Ar2_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.60194708")
-
-# test-energy: Ar2 0 1 CC-PVDZ RHF
-add_test(NAME Ar2_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 cc-pvdz)
-set_tests_properties(Ar2_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.59973063")
-
-# test-energy: Ar2 0 1 CC-PVDZ RMP2
-add_test(NAME Ar2_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 cc-pvdz)
-set_tests_properties(Ar2_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.89097005")
-
-# test-energy: Ar2 0 1 CC-PVTZ RHF
-add_test(NAME Ar2_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 cc-pvtz)
-set_tests_properties(Ar2_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.62626772")
-
-# test-energy: Ar2 0 1 DEF2-SVP RHF
-add_test(NAME Ar2_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 def2-svp)
-set_tests_properties(Ar2_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.24676982")
-
-# test-energy: Ar2 0 1 DEF2-SVP RMP2
-add_test(NAME Ar2_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 def2-svp)
-set_tests_properties(Ar2_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.54432093")
-
-# test-energy: Ar2 0 1 DEF2-SVPD RHF
-add_test(NAME Ar2_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 def2-svpd)
-set_tests_properties(Ar2_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.26481297")
-
-# test-energy: Ar2 0 1 DEF2-TZVP RHF
-add_test(NAME Ar2_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 def2-tzvp)
-set_tests_properties(Ar2_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1053.60552076")
-
-# test-energy: Ar2 0 1 MINI RHF
-add_test(NAME Ar2_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 mini)
-set_tests_properties(Ar2_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1048.68737373")
-
-# test-energy: Ar2 0 1 MINI RMP2
-add_test(NAME Ar2_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 mini)
-set_tests_properties(Ar2_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1048.68737373")
-
-# test-energy: Ar2 0 1 MINI RFCI
-add_test(NAME Ar2_0-1_mini_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci Ar2 mini)
-set_tests_properties(Ar2_0-1_mini_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1048.68737373")
-
-# test-energy: Ar2 0 1 STO-3G RHF
-add_test(NAME Ar2_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 sto-3g)
-set_tests_properties(Ar2_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1042.44576161")
-
-# test-energy: Ar2 0 1 STO-3G RMP2
-add_test(NAME Ar2_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 sto-3g)
-set_tests_properties(Ar2_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1042.44576161")
-
-# test-energy: Ar2 0 1 STO-3G RFCI
-add_test(NAME Ar2_0-1_sto-3g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci Ar2 sto-3g)
-set_tests_properties(Ar2_0-1_sto-3g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1042.44576161")
-
-# test-energy: Ar2 0 1 STO-6G RHF
-add_test(NAME Ar2_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ar2 sto-6g)
-set_tests_properties(Ar2_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1050.10835806")
-
-# test-energy: Ar2 0 1 STO-6G RMP2
-add_test(NAME Ar2_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ar2 sto-6g)
-set_tests_properties(Ar2_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1050.10835806")
-
-# test-energy: Ar2 0 1 STO-6G RFCI
-add_test(NAME Ar2_0-1_sto-6g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci Ar2 sto-6g)
-set_tests_properties(Ar2_0-1_sto-6g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1050.10835806")
-
-# test-energy: CO2 0 1 3-21G RHF
-add_test(NAME CO2_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 3-21g)
-set_tests_properties(CO2_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-186.55703007")
-
-# test-energy: CO2 0 1 3-21G RMP2
-add_test(NAME CO2_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 CO2 3-21g)
-set_tests_properties(CO2_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-186.91662134")
-
-# test-energy: CO2 0 1 6-311GSS RHF
-add_test(NAME CO2_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 6-311gss)
-set_tests_properties(CO2_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.67524994")
-
-# test-energy: CO2 0 1 6-31G RHF
-add_test(NAME CO2_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 6-31g)
-set_tests_properties(CO2_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.51204066")
-
-# test-energy: CO2 0 1 6-31G RMP2
-add_test(NAME CO2_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 CO2 6-31g)
-set_tests_properties(CO2_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.87474557")
-
-# test-energy: CO2 0 1 6-31GS RHF
-add_test(NAME CO2_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 6-31gs)
-set_tests_properties(CO2_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.62519056")
-
-# test-energy: CO2 0 1 6-31GSS RHF
-add_test(NAME CO2_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 6-31gss)
-set_tests_properties(CO2_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.62519056")
-
-# test-energy: CO2 0 1 AUG-CC-PVDZ RHF
-add_test(NAME CO2_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 aug-cc-pvdz)
-set_tests_properties(CO2_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.65508662")
-
-# test-energy: CO2 0 1 CC-PVDZ RHF
-add_test(NAME CO2_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 cc-pvdz)
-set_tests_properties(CO2_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.64292823")
-
-# test-energy: CO2 0 1 DEF2-SVP RHF
-add_test(NAME CO2_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 def2-svp)
-set_tests_properties(CO2_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.47553766")
-
-# test-energy: CO2 0 1 DEF2-SVPD RHF
-add_test(NAME CO2_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 def2-svpd)
-set_tests_properties(CO2_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.48857484")
-
-# test-energy: CO2 0 1 MINI RHF
-add_test(NAME CO2_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 mini)
-set_tests_properties(CO2_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-186.21288668")
-
-# test-energy: CO2 0 1 MINI RMP2
-add_test(NAME CO2_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 CO2 mini)
-set_tests_properties(CO2_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-186.39757521")
-
-# test-energy: CO2 0 1 STO-3G RHF
-add_test(NAME CO2_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 sto-3g)
-set_tests_properties(CO2_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-185.06839056")
-
-# test-energy: CO2 0 1 STO-3G RMP2
-add_test(NAME CO2_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 CO2 sto-3g)
-set_tests_properties(CO2_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-185.27751083")
-
-# test-energy: CO2 0 1 STO-6G RHF
-add_test(NAME CO2_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf CO2 sto-6g)
-set_tests_properties(CO2_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-186.85531093")
-
-# test-energy: CO2 0 1 STO-6G RMP2
-add_test(NAME CO2_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 CO2 sto-6g)
-set_tests_properties(CO2_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-187.06561386")
-
-# test-energy: H2 0 1 3-21G RHF
-add_test(NAME H2_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 3-21g)
-set_tests_properties(H2_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12256431")
-
-# test-energy: H2 0 1 3-21G RMP2
-add_test(NAME H2_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 3-21g)
-set_tests_properties(H2_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13961888")
-
-# test-energy: H2 0 1 3-21G RFCI
-add_test(NAME H2_0-1_3-21g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 3-21g)
-set_tests_properties(H2_0-1_3-21g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.14687279")
-
-# test-energy: H2 0 1 6-311GSS RHF
-add_test(NAME H2_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 6-311gss)
-set_tests_properties(H2_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13208281")
-
-# test-energy: H2 0 1 6-311GSS RMP2
-add_test(NAME H2_0-1_6-311gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 6-311gss)
-set_tests_properties(H2_0-1_6-311gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15976737")
-
-# test-energy: H2 0 1 6-311GSS RFCI
-add_test(NAME H2_0-1_6-311gss_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 6-311gss)
-set_tests_properties(H2_0-1_6-311gss_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16764367")
-
-# test-energy: H2 0 1 6-31G RHF
-add_test(NAME H2_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 6-31g)
-set_tests_properties(H2_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12658765")
-
-# test-energy: H2 0 1 6-31G RMP2
-add_test(NAME H2_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 6-31g)
-set_tests_properties(H2_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.14366747")
-
-# test-energy: H2 0 1 6-31G RFCI
-add_test(NAME H2_0-1_6-31g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 6-31g)
-set_tests_properties(H2_0-1_6-31g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15088814")
-
-# test-energy: H2 0 1 6-31GS RHF
-add_test(NAME H2_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 6-31gs)
-set_tests_properties(H2_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12658765")
-
-# test-energy: H2 0 1 6-31GS RMP2
-add_test(NAME H2_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 6-31gs)
-set_tests_properties(H2_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.14366747")
-
-# test-energy: H2 0 1 6-31GS RFCI
-add_test(NAME H2_0-1_6-31gs_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 6-31gs)
-set_tests_properties(H2_0-1_6-31gs_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15088814")
-
-# test-energy: H2 0 1 6-31GSS RHF
-add_test(NAME H2_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 6-31gss)
-set_tests_properties(H2_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13101745")
-
-# test-energy: H2 0 1 6-31GSS RMP2
-add_test(NAME H2_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 6-31gss)
-set_tests_properties(H2_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15730712")
-
-# test-energy: H2 0 1 6-31GSS RFCI
-add_test(NAME H2_0-1_6-31gss_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 6-31gss)
-set_tests_properties(H2_0-1_6-31gss_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16465393")
-
-# test-energy: H2 0 1 AUG-CC-PVDZ RHF
-add_test(NAME H2_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 aug-cc-pvdz)
-set_tests_properties(H2_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12784214")
-
-# test-energy: H2 0 1 AUG-CC-PVDZ RMP2
-add_test(NAME H2_0-1_aug-cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 aug-cc-pvdz)
-set_tests_properties(H2_0-1_aug-cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15486197")
-
-# test-energy: H2 0 1 AUG-CC-PVDZ RFCI
-add_test(NAME H2_0-1_aug-cc-pvdz_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 aug-cc-pvdz)
-set_tests_properties(H2_0-1_aug-cc-pvdz_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16315002")
-
-# test-energy: H2 0 1 AUG-CC-PVTZ RHF
-add_test(NAME H2_0-1_aug-cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 aug-cc-pvtz)
-set_tests_properties(H2_0-1_aug-cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13268557")
-
-# test-energy: H2 0 1 CC-PVDZ RHF
-add_test(NAME H2_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 cc-pvdz)
-set_tests_properties(H2_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12776166")
-
-# test-energy: H2 0 1 CC-PVDZ RMP2
-add_test(NAME H2_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 cc-pvdz)
-set_tests_properties(H2_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15387945")
-
-# test-energy: H2 0 1 CC-PVDZ RFCI
-add_test(NAME H2_0-1_cc-pvdz_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 cc-pvdz)
-set_tests_properties(H2_0-1_cc-pvdz_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16195252")
-
-# test-energy: H2 0 1 CC-PVQZ RHF
-add_test(NAME H2_0-1_cc-pvqz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 cc-pvqz)
-set_tests_properties(H2_0-1_cc-pvqz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13314831")
-
-# test-energy: H2 0 1 CC-PVTZ RHF
-add_test(NAME H2_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 cc-pvtz)
-set_tests_properties(H2_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13261973")
-
-# test-energy: H2 0 1 CC-PVTZ RMP2
-add_test(NAME H2_0-1_cc-pvtz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 cc-pvtz)
-set_tests_properties(H2_0-1_cc-pvtz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16419764")
-
-# test-energy: H2 0 1 DEF2-QZVP RHF
-add_test(NAME H2_0-1_def2-qzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-qzvp)
-set_tests_properties(H2_0-1_def2-qzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13324967")
-
-# test-energy: H2 0 1 DEF2-QZVPD RHF
-add_test(NAME H2_0-1_def2-qzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-qzvpd)
-set_tests_properties(H2_0-1_def2-qzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13325686")
-
-# test-energy: H2 0 1 DEF2-QZVPPD RHF
-add_test(NAME H2_0-1_def2-qzvppd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-qzvppd)
-set_tests_properties(H2_0-1_def2-qzvppd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13325686")
-
-# test-energy: H2 0 1 DEF2-SVP RHF
-add_test(NAME H2_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-svp)
-set_tests_properties(H2_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12799933")
-
-# test-energy: H2 0 1 DEF2-SVP RMP2
-add_test(NAME H2_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 def2-svp)
-set_tests_properties(H2_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15403854")
-
-# test-energy: H2 0 1 DEF2-SVP RFCI
-add_test(NAME H2_0-1_def2-svp_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 def2-svp)
-set_tests_properties(H2_0-1_def2-svp_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16196491")
-
-# test-energy: H2 0 1 DEF2-SVPD RHF
-add_test(NAME H2_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-svpd)
-set_tests_properties(H2_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12800093")
-
-# test-energy: H2 0 1 DEF2-SVPD RMP2
-add_test(NAME H2_0-1_def2-svpd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 def2-svpd)
-set_tests_properties(H2_0-1_def2-svpd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15492069")
-
-# test-energy: H2 0 1 DEF2-TZVP RHF
-add_test(NAME H2_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-tzvp)
-set_tests_properties(H2_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13216207")
-
-# test-energy: H2 0 1 DEF2-TZVP RMP2
-add_test(NAME H2_0-1_def2-tzvp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 def2-tzvp)
-set_tests_properties(H2_0-1_def2-tzvp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.15982362")
-
-# test-energy: H2 0 1 DEF2-TZVP RFCI
-add_test(NAME H2_0-1_def2-tzvp_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 def2-tzvp)
-set_tests_properties(H2_0-1_def2-tzvp_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16760476")
-
-# test-energy: H2 0 1 DEF2-TZVPD RHF
-add_test(NAME H2_0-1_def2-tzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-tzvpd)
-set_tests_properties(H2_0-1_def2-tzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13228264")
-
-# test-energy: H2 0 1 DEF2-TZVPD RMP2
-add_test(NAME H2_0-1_def2-tzvpd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 def2-tzvpd)
-set_tests_properties(H2_0-1_def2-tzvpd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16046730")
-
-# test-energy: H2 0 1 DEF2-TZVPD RFCI
-add_test(NAME H2_0-1_def2-tzvpd_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 def2-tzvpd)
-set_tests_properties(H2_0-1_def2-tzvpd_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16841826")
-
-# test-energy: H2 0 1 DEF2-TZVPPD RHF
-add_test(NAME H2_0-1_def2-tzvppd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 def2-tzvppd)
-set_tests_properties(H2_0-1_def2-tzvppd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13268016")
-
-# test-energy: H2 0 1 DEF2-TZVPPD RMP2
-add_test(NAME H2_0-1_def2-tzvppd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 def2-tzvppd)
-set_tests_properties(H2_0-1_def2-tzvppd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.16431709")
-
-# test-energy: H2 0 1 MINI RHF
-add_test(NAME H2_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 mini)
-set_tests_properties(H2_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.07978769")
-
-# test-energy: H2 0 1 MINI RMP2
-add_test(NAME H2_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 mini)
-set_tests_properties(H2_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.08897079")
-
-# test-energy: H2 0 1 MINI RFCI
-add_test(NAME H2_0-1_mini_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 mini)
-set_tests_properties(H2_0-1_mini_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.09449569")
-
-# test-energy: H2 0 1 STO-3G RHF
-add_test(NAME H2_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 sto-3g)
-set_tests_properties(H2_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.11750589")
-
-# test-energy: H2 0 1 STO-3G RMP2
-add_test(NAME H2_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 sto-3g)
-set_tests_properties(H2_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13000969")
-
-# test-energy: H2 0 1 STO-3G RFCI
-add_test(NAME H2_0-1_sto-3g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 sto-3g)
-set_tests_properties(H2_0-1_sto-3g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13684782")
-
-# test-energy: H2 0 1 STO-6G RHF
-add_test(NAME H2_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf H2 sto-6g)
-set_tests_properties(H2_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.12621334")
-
-# test-energy: H2 0 1 STO-6G RMP2
-add_test(NAME H2_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 H2 sto-6g)
-set_tests_properties(H2_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.13874523")
-
-# test-energy: H2 0 1 STO-6G RFCI
-add_test(NAME H2_0-1_sto-6g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci H2 sto-6g)
-set_tests_properties(H2_0-1_sto-6g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-1.14559443")
-
-# test-energy: HCl 0 1 3-21G RHF
-add_test(NAME HCl_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl 3-21g)
-set_tests_properties(HCl_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-457.86922737")
-
-# test-energy: HCl 0 1 3-21G RMP2
-add_test(NAME HCl_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl 3-21g)
-set_tests_properties(HCl_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-457.92633136")
-
-# test-energy: HCl 0 1 6-311GSS RHF
-add_test(NAME HCl_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl 6-311gss)
-set_tests_properties(HCl_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.09341260")
-
-# test-energy: HCl 0 1 6-311GSS RMP2
-add_test(NAME HCl_0-1_6-311gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl 6-311gss)
-set_tests_properties(HCl_0-1_6-311gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.29204240")
-
-# test-energy: HCl 0 1 6-31G RHF
-add_test(NAME HCl_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl 6-31g)
-set_tests_properties(HCl_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.03699520")
-
-# test-energy: HCl 0 1 6-31G RMP2
-add_test(NAME HCl_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl 6-31g)
-set_tests_properties(HCl_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.08845901")
-
-# test-energy: HCl 0 1 6-31GS RHF
-add_test(NAME HCl_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl 6-31gs)
-set_tests_properties(HCl_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.05861071")
-
-# test-energy: HCl 0 1 6-31GS RMP2
-add_test(NAME HCl_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl 6-31gs)
-set_tests_properties(HCl_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.20150720")
-
-# test-energy: HCl 0 1 6-31GSS RHF
-add_test(NAME HCl_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl 6-31gss)
-set_tests_properties(HCl_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.06481250")
-
-# test-energy: HCl 0 1 6-31GSS RMP2
-add_test(NAME HCl_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl 6-31gss)
-set_tests_properties(HCl_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.21440765")
-
-# test-energy: HCl 0 1 AUG-CC-PVDZ RHF
-add_test(NAME HCl_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl aug-cc-pvdz)
-set_tests_properties(HCl_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.09182483")
-
-# test-energy: HCl 0 1 AUG-CC-PVDZ RMP2
-add_test(NAME HCl_0-1_aug-cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl aug-cc-pvdz)
-set_tests_properties(HCl_0-1_aug-cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.25867791")
-
-# test-energy: HCl 0 1 CC-PVDZ RHF
-add_test(NAME HCl_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl cc-pvdz)
-set_tests_properties(HCl_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.08865013")
-
-# test-energy: HCl 0 1 CC-PVDZ RMP2
-add_test(NAME HCl_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl cc-pvdz)
-set_tests_properties(HCl_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.24160546")
-
-# test-energy: HCl 0 1 CC-PVTZ RHF
-add_test(NAME HCl_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl cc-pvtz)
-set_tests_properties(HCl_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.10557615")
-
-# test-energy: HCl 0 1 DEF2-SVP RHF
-add_test(NAME HCl_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl def2-svp)
-set_tests_properties(HCl_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-459.93721170")
-
-# test-energy: HCl 0 1 DEF2-SVP RMP2
-add_test(NAME HCl_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl def2-svp)
-set_tests_properties(HCl_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.09128053")
-
-# test-energy: HCl 0 1 DEF2-SVPD RHF
-add_test(NAME HCl_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl def2-svpd)
-set_tests_properties(HCl_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-459.94683894")
-
-# test-energy: HCl 0 1 DEF2-SVPD RMP2
-add_test(NAME HCl_0-1_def2-svpd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl def2-svpd)
-set_tests_properties(HCl_0-1_def2-svpd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.11533556")
-
-# test-energy: HCl 0 1 DEF2-TZVP RHF
-add_test(NAME HCl_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl def2-tzvp)
-set_tests_properties(HCl_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.09678920")
-
-# test-energy: HCl 0 1 DEF2-TZVPD RHF
-add_test(NAME HCl_0-1_def2-tzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl def2-tzvpd)
-set_tests_properties(HCl_0-1_def2-tzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.09785754")
-
-# test-energy: HCl 0 1 DEF2-TZVPPD RHF
-add_test(NAME HCl_0-1_def2-tzvppd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl def2-tzvppd)
-set_tests_properties(HCl_0-1_def2-tzvppd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-460.09862912")
-
-# test-energy: HCl 0 1 MINI RHF
-add_test(NAME HCl_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl mini)
-set_tests_properties(HCl_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-457.83426124")
-
-# test-energy: HCl 0 1 MINI RMP2
-add_test(NAME HCl_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl mini)
-set_tests_properties(HCl_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-457.84535742")
-
-# test-energy: HCl 0 1 MINI RFCI
-add_test(NAME HCl_0-1_mini_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci HCl mini)
-set_tests_properties(HCl_0-1_mini_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-457.85104963")
-
-# test-energy: HCl 0 1 STO-3G RHF
-add_test(NAME HCl_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl sto-3g)
-set_tests_properties(HCl_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-455.13601165")
-
-# test-energy: HCl 0 1 STO-3G RMP2
-add_test(NAME HCl_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl sto-3g)
-set_tests_properties(HCl_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-455.14967272")
-
-# test-energy: HCl 0 1 STO-3G RFCI
-add_test(NAME HCl_0-1_sto-3g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci HCl sto-3g)
-set_tests_properties(HCl_0-1_sto-3g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-455.15652024")
-
-# test-energy: HCl 0 1 STO-6G RHF
-add_test(NAME HCl_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HCl sto-6g)
-set_tests_properties(HCl_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-458.54663321")
-
-# test-energy: HCl 0 1 STO-6G RMP2
-add_test(NAME HCl_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HCl sto-6g)
-set_tests_properties(HCl_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-458.56037406")
-
-# test-energy: HCl 0 1 STO-6G RFCI
-add_test(NAME HCl_0-1_sto-6g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci HCl sto-6g)
-set_tests_properties(HCl_0-1_sto-6g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-458.56731095")
-
-# test-energy: HF 0 1 3-21G RHF
-add_test(NAME HF_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF 3-21g)
-set_tests_properties(HF_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.45988645")
-
-# test-energy: HF 0 1 3-21G RMP2
-add_test(NAME HF_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF 3-21g)
-set_tests_properties(HF_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.58387092")
-
-# test-energy: HF 0 1 6-311GSS RHF
-add_test(NAME HF_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF 6-311gss)
-set_tests_properties(HF_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.04285719")
-
-# test-energy: HF 0 1 6-311GSS RMP2
-add_test(NAME HF_0-1_6-311gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF 6-311gss)
-set_tests_properties(HF_0-1_6-311gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.28412289")
-
-# test-energy: HF 0 1 6-31G RHF
-add_test(NAME HF_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF 6-31g)
-set_tests_properties(HF_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.98220329")
-
-# test-energy: HF 0 1 6-31G RMP2
-add_test(NAME HF_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF 6-31g)
-set_tests_properties(HF_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.11293500")
-
-# test-energy: HF 0 1 6-31GS RHF
-add_test(NAME HF_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF 6-31gs)
-set_tests_properties(HF_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.00071111")
-
-# test-energy: HF 0 1 6-31GS RMP2
-add_test(NAME HF_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF 6-31gs)
-set_tests_properties(HF_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.18369438")
-
-# test-energy: HF 0 1 6-31GSS RHF
-add_test(NAME HF_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF 6-31gss)
-set_tests_properties(HF_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.00823949")
-
-# test-energy: HF 0 1 6-31GSS RMP2
-add_test(NAME HF_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF 6-31gss)
-set_tests_properties(HF_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.19545618")
-
-# test-energy: HF 0 1 AUG-CC-PVDZ RHF
-add_test(NAME HF_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF aug-cc-pvdz)
-set_tests_properties(HF_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.03036825")
-
-# test-energy: HF 0 1 AUG-CC-PVDZ RMP2
-add_test(NAME HF_0-1_aug-cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF aug-cc-pvdz)
-set_tests_properties(HF_0-1_aug-cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.25714082")
-
-# test-energy: HF 0 1 AUG-CC-PVTZ RHF
-add_test(NAME HF_0-1_aug-cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF aug-cc-pvtz)
-set_tests_properties(HF_0-1_aug-cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.05787491")
-
-# test-energy: HF 0 1 CC-PVDZ RHF
-add_test(NAME HF_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF cc-pvdz)
-set_tests_properties(HF_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.01643972")
-
-# test-energy: HF 0 1 CC-PVDZ RMP2
-add_test(NAME HF_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF cc-pvdz)
-set_tests_properties(HF_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.22185389")
-
-# test-energy: HF 0 1 CC-PVTZ RHF
-add_test(NAME HF_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF cc-pvtz)
-set_tests_properties(HF_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.05470646")
-
-# test-energy: HF 0 1 DEF2-SVP RHF
-add_test(NAME HF_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF def2-svp)
-set_tests_properties(HF_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.92938099")
-
-# test-energy: HF 0 1 DEF2-SVP RMP2
-add_test(NAME HF_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF def2-svp)
-set_tests_properties(HF_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.13259776")
-
-# test-energy: HF 0 1 DEF2-SVPD RHF
-add_test(NAME HF_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF def2-svpd)
-set_tests_properties(HF_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.94210452")
-
-# test-energy: HF 0 1 DEF2-SVPD RMP2
-add_test(NAME HF_0-1_def2-svpd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF def2-svpd)
-set_tests_properties(HF_0-1_def2-svpd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.15933746")
-
-# test-energy: HF 0 1 DEF2-TZVP RHF
-add_test(NAME HF_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF def2-tzvp)
-set_tests_properties(HF_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.06018237")
-
-# test-energy: HF 0 1 DEF2-TZVP RMP2
-add_test(NAME HF_0-1_def2-tzvp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF def2-tzvp)
-set_tests_properties(HF_0-1_def2-tzvp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.34812170")
-
-# test-energy: HF 0 1 DEF2-TZVPD RHF
-add_test(NAME HF_0-1_def2-tzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF def2-tzvpd)
-set_tests_properties(HF_0-1_def2-tzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.06182673")
-
-# test-energy: HF 0 1 DEF2-TZVPPD RHF
-add_test(NAME HF_0-1_def2-tzvppd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF def2-tzvppd)
-set_tests_properties(HF_0-1_def2-tzvppd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-100.06306088")
-
-# test-energy: HF 0 1 MINI RHF
-add_test(NAME HF_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF mini)
-set_tests_properties(HF_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.35123906")
-
-# test-energy: HF 0 1 MINI RMP2
-add_test(NAME HF_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF mini)
-set_tests_properties(HF_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.36557247")
-
-# test-energy: HF 0 1 MINI RFCI
-add_test(NAME HF_0-1_mini_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci HF mini)
-set_tests_properties(HF_0-1_mini_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.37268680")
-
-# test-energy: HF 0 1 STO-3G RHF
-add_test(NAME HF_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF sto-3g)
-set_tests_properties(HF_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-98.57284735")
-
-# test-energy: HF 0 1 STO-3G RMP2
-add_test(NAME HF_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF sto-3g)
-set_tests_properties(HF_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-98.59192826")
-
-# test-energy: HF 0 1 STO-3G RFCI
-add_test(NAME HF_0-1_sto-3g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci HF sto-3g)
-set_tests_properties(HF_0-1_sto-3g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-98.60174877")
-
-# test-energy: HF 0 1 STO-6G RHF
-add_test(NAME HF_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf HF sto-6g)
-set_tests_properties(HF_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.50171677")
-
-# test-energy: HF 0 1 STO-6G RMP2
-add_test(NAME HF_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 HF sto-6g)
-set_tests_properties(HF_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.52084203")
-
-# test-energy: HF 0 1 STO-6G RFCI
-add_test(NAME HF_0-1_sto-6g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci HF sto-6g)
-set_tests_properties(HF_0-1_sto-6g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-99.53073433")
-
-# test-energy: He2 0 1 3-21G RHF
-add_test(NAME He2_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 3-21g)
-set_tests_properties(He2_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.67135975")
-
-# test-energy: He2 0 1 3-21G RMP2
-add_test(NAME He2_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 3-21g)
-set_tests_properties(He2_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.69435297")
-
-# test-energy: He2 0 1 3-21G RFCI
-add_test(NAME He2_0-1_3-21g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci He2 3-21g)
-set_tests_properties(He2_0-1_3-21g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.70115340")
-
-# test-energy: He2 0 1 6-311GSS RHF
-add_test(NAME He2_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 6-311gss)
-set_tests_properties(He2_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71979085")
-
-# test-energy: He2 0 1 6-311GSS RMP2
-add_test(NAME He2_0-1_6-311gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 6-311gss)
-set_tests_properties(He2_0-1_6-311gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.76915660")
-
-# test-energy: He2 0 1 6-31G RHF
-add_test(NAME He2_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 6-31g)
-set_tests_properties(He2_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71032085")
-
-# test-energy: He2 0 1 6-31G RMP2
-add_test(NAME He2_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 6-31g)
-set_tests_properties(He2_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.73272110")
-
-# test-energy: He2 0 1 6-31G RFCI
-add_test(NAME He2_0-1_6-31g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci He2 6-31g)
-set_tests_properties(He2_0-1_6-31g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.74032428")
-
-# test-energy: He2 0 1 6-31GS RHF
-add_test(NAME He2_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 6-31gs)
-set_tests_properties(He2_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71032085")
-
-# test-energy: He2 0 1 6-31GS RMP2
-add_test(NAME He2_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 6-31gs)
-set_tests_properties(He2_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.73272110")
-
-# test-energy: He2 0 1 6-31GS RFCI
-add_test(NAME He2_0-1_6-31gs_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci He2 6-31gs)
-set_tests_properties(He2_0-1_6-31gs_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.74032428")
-
-# test-energy: He2 0 1 6-31GSS RHF
-add_test(NAME He2_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 6-31gss)
-set_tests_properties(He2_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71032085")
-
-# test-energy: He2 0 1 6-31GSS RMP2
-add_test(NAME He2_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 6-31gss)
-set_tests_properties(He2_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.76127530")
-
-# test-energy: He2 0 1 AUG-CC-PVDZ RHF
-add_test(NAME He2_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 aug-cc-pvdz)
-set_tests_properties(He2_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71140939")
-
-# test-energy: He2 0 1 AUG-CC-PVDZ RMP2
-add_test(NAME He2_0-1_aug-cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 aug-cc-pvdz)
-set_tests_properties(He2_0-1_aug-cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.76533678")
-
-# test-energy: He2 0 1 AUG-CC-PVTZ RHF
-add_test(NAME He2_0-1_aug-cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 aug-cc-pvtz)
-set_tests_properties(He2_0-1_aug-cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.72236691")
-
-# test-energy: He2 0 1 CC-PVDZ RHF
-add_test(NAME He2_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 cc-pvdz)
-set_tests_properties(He2_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71032095")
-
-# test-energy: He2 0 1 CC-PVDZ RMP2
-add_test(NAME He2_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 cc-pvdz)
-set_tests_properties(He2_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.76197792")
-
-# test-energy: He2 0 1 CC-PVQZ RHF
-add_test(NAME He2_0-1_cc-pvqz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 cc-pvqz)
-set_tests_properties(He2_0-1_cc-pvqz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.72302847")
-
-# test-energy: He2 0 1 CC-PVTZ RHF
-add_test(NAME He2_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 cc-pvtz)
-set_tests_properties(He2_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.72230670")
-
-# test-energy: He2 0 1 CC-PVTZ RMP2
-add_test(NAME He2_0-1_cc-pvtz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 cc-pvtz)
-set_tests_properties(He2_0-1_cc-pvtz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.78858260")
-
-# test-energy: He2 0 1 DEF2-QZVP RHF
-add_test(NAME He2_0-1_def2-qzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-qzvp)
-set_tests_properties(He2_0-1_def2-qzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.72324970")
-
-# test-energy: He2 0 1 DEF2-QZVPD RHF
-add_test(NAME He2_0-1_def2-qzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-qzvpd)
-set_tests_properties(He2_0-1_def2-qzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.72324979")
-
-# test-energy: He2 0 1 DEF2-QZVPPD RHF
-add_test(NAME He2_0-1_def2-qzvppd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-qzvppd)
-set_tests_properties(He2_0-1_def2-qzvppd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.72324979")
-
-# test-energy: He2 0 1 DEF2-SVP RHF
-add_test(NAME He2_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-svp)
-set_tests_properties(He2_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71032096")
-
-# test-energy: He2 0 1 DEF2-SVP RMP2
-add_test(NAME He2_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 def2-svp)
-set_tests_properties(He2_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.76042293")
-
-# test-energy: He2 0 1 DEF2-SVPD RHF
-add_test(NAME He2_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-svpd)
-set_tests_properties(He2_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71032097")
-
-# test-energy: He2 0 1 DEF2-SVPD RMP2
-add_test(NAME He2_0-1_def2-svpd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 def2-svpd)
-set_tests_properties(He2_0-1_def2-svpd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.76113715")
-
-# test-energy: He2 0 1 DEF2-TZVP RHF
-add_test(NAME He2_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-tzvp)
-set_tests_properties(He2_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71979085")
-
-# test-energy: He2 0 1 DEF2-TZVP RMP2
-add_test(NAME He2_0-1_def2-tzvp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 def2-tzvp)
-set_tests_properties(He2_0-1_def2-tzvp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.77320554")
-
-# test-energy: He2 0 1 DEF2-TZVPD RHF
-add_test(NAME He2_0-1_def2-tzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-tzvpd)
-set_tests_properties(He2_0-1_def2-tzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71979091")
-
-# test-energy: He2 0 1 DEF2-TZVPD RMP2
-add_test(NAME He2_0-1_def2-tzvpd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 def2-tzvpd)
-set_tests_properties(He2_0-1_def2-tzvpd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.77385128")
-
-# test-energy: He2 0 1 DEF2-TZVPPD RHF
-add_test(NAME He2_0-1_def2-tzvppd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 def2-tzvppd)
-set_tests_properties(He2_0-1_def2-tzvppd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.71979092")
-
-# test-energy: He2 0 1 DEF2-TZVPPD RMP2
-add_test(NAME He2_0-1_def2-tzvppd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 def2-tzvppd)
-set_tests_properties(He2_0-1_def2-tzvppd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.78645881")
-
-# test-energy: He2 0 1 MINI RHF
-add_test(NAME He2_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 mini)
-set_tests_properties(He2_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.67135975")
-
-# test-energy: He2 0 1 MINI RMP2
-add_test(NAME He2_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 mini)
-set_tests_properties(He2_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.67135975")
-
-# test-energy: He2 0 1 MINI RFCI
-add_test(NAME He2_0-1_mini_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci He2 mini)
-set_tests_properties(He2_0-1_mini_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.67135975")
-
-# test-energy: He2 0 1 STO-3G RHF
-add_test(NAME He2_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 sto-3g)
-set_tests_properties(He2_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.61556792")
-
-# test-energy: He2 0 1 STO-3G RMP2
-add_test(NAME He2_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 sto-3g)
-set_tests_properties(He2_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.61556792")
-
-# test-energy: He2 0 1 STO-3G RFCI
-add_test(NAME He2_0-1_sto-3g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci He2 sto-3g)
-set_tests_properties(He2_0-1_sto-3g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.61556792")
-
-# test-energy: He2 0 1 STO-6G RHF
-add_test(NAME He2_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf He2 sto-6g)
-set_tests_properties(He2_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.69258419")
-
-# test-energy: He2 0 1 STO-6G RMP2
-add_test(NAME He2_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 He2 sto-6g)
-set_tests_properties(He2_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.69258419")
-
-# test-energy: He2 0 1 STO-6G RFCI
-add_test(NAME He2_0-1_sto-6g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci He2 sto-6g)
-set_tests_properties(He2_0-1_sto-6g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-5.69258419")
-
-# test-energy: Ne2 0 1 3-21G RHF
-add_test(NAME Ne2_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 3-21g)
-set_tests_properties(Ne2_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.60764906")
-
-# test-energy: Ne2 0 1 3-21G RMP2
-add_test(NAME Ne2_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 3-21g)
-set_tests_properties(Ne2_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.83532786")
-
-# test-energy: Ne2 0 1 6-311GSS RHF
-add_test(NAME Ne2_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 6-311gss)
-set_tests_properties(Ne2_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.04510622")
-
-# test-energy: Ne2 0 1 6-311GSS RMP2
-add_test(NAME Ne2_0-1_6-311gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 6-311gss)
-set_tests_properties(Ne2_0-1_6-311gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.50098766")
-
-# test-energy: Ne2 0 1 6-31G RHF
-add_test(NAME Ne2_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 6-31g)
-set_tests_properties(Ne2_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-256.94775375")
-
-# test-energy: Ne2 0 1 6-31G RMP2
-add_test(NAME Ne2_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 6-31g)
-set_tests_properties(Ne2_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.17627773")
-
-# test-energy: Ne2 0 1 6-31GS RHF
-add_test(NAME Ne2_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 6-31gs)
-set_tests_properties(Ne2_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-256.94881308")
-
-# test-energy: Ne2 0 1 6-31GS RMP2
-add_test(NAME Ne2_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 6-31gs)
-set_tests_properties(Ne2_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.25236717")
-
-# test-energy: Ne2 0 1 6-31GSS RHF
-add_test(NAME Ne2_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 6-31gss)
-set_tests_properties(Ne2_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-256.94881308")
-
-# test-energy: Ne2 0 1 6-31GSS RMP2
-add_test(NAME Ne2_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 6-31gss)
-set_tests_properties(Ne2_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.25236717")
-
-# test-energy: Ne2 0 1 AUG-CC-PVDZ RHF
-add_test(NAME Ne2_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 aug-cc-pvdz)
-set_tests_properties(Ne2_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-256.99270220")
-
-# test-energy: Ne2 0 1 CC-PVDZ RHF
-add_test(NAME Ne2_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 cc-pvdz)
-set_tests_properties(Ne2_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-256.97755112")
-
-# test-energy: Ne2 0 1 CC-PVDZ RMP2
-add_test(NAME Ne2_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 cc-pvdz)
-set_tests_properties(Ne2_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.35268892")
-
-# test-energy: Ne2 0 1 CC-PVTZ RHF
-add_test(NAME Ne2_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 cc-pvtz)
-set_tests_properties(Ne2_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.06372422")
-
-# test-energy: Ne2 0 1 DEF2-SVP RHF
-add_test(NAME Ne2_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 def2-svp)
-set_tests_properties(Ne2_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-256.75281364")
-
-# test-energy: Ne2 0 1 DEF2-SVP RMP2
-add_test(NAME Ne2_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 def2-svp)
-set_tests_properties(Ne2_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.12372751")
-
-# test-energy: Ne2 0 1 DEF2-SVPD RHF
-add_test(NAME Ne2_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 def2-svpd)
-set_tests_properties(Ne2_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-256.76807880")
-
-# test-energy: Ne2 0 1 DEF2-TZVP RHF
-add_test(NAME Ne2_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 def2-tzvp)
-set_tests_properties(Ne2_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-257.08298952")
-
-# test-energy: Ne2 0 1 MINI RHF
-add_test(NAME Ne2_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 mini)
-set_tests_properties(Ne2_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.43758183")
-
-# test-energy: Ne2 0 1 MINI RMP2
-add_test(NAME Ne2_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 mini)
-set_tests_properties(Ne2_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.43758183")
-
-# test-energy: Ne2 0 1 MINI RFCI
-add_test(NAME Ne2_0-1_mini_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci Ne2 mini)
-set_tests_properties(Ne2_0-1_mini_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.43758183")
-
-# test-energy: Ne2 0 1 STO-3G RHF
-add_test(NAME Ne2_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 sto-3g)
-set_tests_properties(Ne2_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-253.20904999")
-
-# test-energy: Ne2 0 1 STO-3G RMP2
-add_test(NAME Ne2_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 sto-3g)
-set_tests_properties(Ne2_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-253.20904999")
-
-# test-energy: Ne2 0 1 STO-3G RFCI
-add_test(NAME Ne2_0-1_sto-3g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci Ne2 sto-3g)
-set_tests_properties(Ne2_0-1_sto-3g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-253.20904999")
-
-# test-energy: Ne2 0 1 STO-6G RHF
-add_test(NAME Ne2_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf Ne2 sto-6g)
-set_tests_properties(Ne2_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.55347661")
-
-# test-energy: Ne2 0 1 STO-6G RMP2
-add_test(NAME Ne2_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 Ne2 sto-6g)
-set_tests_properties(Ne2_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.55347661")
-
-# test-energy: Ne2 0 1 STO-6G RFCI
-add_test(NAME Ne2_0-1_sto-6g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci Ne2 sto-6g)
-set_tests_properties(Ne2_0-1_sto-6g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-255.55347661")
-
-# test-energy: acetone 0 1 3-21G RHF
-add_test(NAME acetone_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf acetone 3-21g)
-set_tests_properties(acetone_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-190.88615912")
-
-# test-energy: acetone 0 1 6-31G RHF
-add_test(NAME acetone_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf acetone 6-31g)
-set_tests_properties(acetone_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-191.87337491")
-
-# test-energy: acetone 0 1 MINI RHF
-add_test(NAME acetone_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf acetone mini)
-set_tests_properties(acetone_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-190.41355568")
-
-# test-energy: acetone 0 1 MINI RMP2
-add_test(NAME acetone_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 acetone mini)
-set_tests_properties(acetone_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-190.61113561")
-
-# test-energy: acetone 0 1 STO-3G RHF
-add_test(NAME acetone_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf acetone sto-3g)
-set_tests_properties(acetone_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-189.53603268")
-
-# test-energy: acetone 0 1 STO-3G RMP2
-add_test(NAME acetone_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 acetone sto-3g)
-set_tests_properties(acetone_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-189.75518364")
-
-# test-energy: acetone 0 1 STO-6G RHF
-add_test(NAME acetone_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf acetone sto-6g)
-set_tests_properties(acetone_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-191.37598036")
-
-# test-energy: acetone 0 1 STO-6G RMP2
-add_test(NAME acetone_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 acetone sto-6g)
-set_tests_properties(acetone_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-191.59828606")
-
-# test-energy: alanine 0 1 MINI RHF
-add_test(NAME alanine_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf alanine mini)
-set_tests_properties(alanine_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-319.40290111")
-
-# test-energy: alanine 0 1 MINI RMP2
-add_test(NAME alanine_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 alanine mini)
-set_tests_properties(alanine_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-319.69529720")
-
-# test-energy: alanine 0 1 STO-3G RHF
-add_test(NAME alanine_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf alanine sto-3g)
-set_tests_properties(alanine_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-317.69949475")
-
-# test-energy: alanine 0 1 STO-3G RMP2
-add_test(NAME alanine_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 alanine sto-3g)
-set_tests_properties(alanine_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-318.00746670")
-
-# test-energy: alanine 0 1 STO-6G RHF
-add_test(NAME alanine_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf alanine sto-6g)
-set_tests_properties(alanine_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-320.77515116")
-
-# test-energy: ammonia 0 1 3-21G RHF
-add_test(NAME ammonia_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia 3-21g)
-set_tests_properties(ammonia_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-55.86784135")
-
-# test-energy: ammonia 0 1 3-21G RMP2
-add_test(NAME ammonia_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia 3-21g)
-set_tests_properties(ammonia_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-55.98296805")
-
-# test-energy: ammonia 0 1 6-311GSS RHF
-add_test(NAME ammonia_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia 6-311gss)
-set_tests_properties(ammonia_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.20778555")
-
-# test-energy: ammonia 0 1 6-311GSS RMP2
-add_test(NAME ammonia_0-1_6-311gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia 6-311gss)
-set_tests_properties(ammonia_0-1_6-311gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.42699019")
-
-# test-energy: ammonia 0 1 6-31G RHF
-add_test(NAME ammonia_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia 6-31g)
-set_tests_properties(ammonia_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.15690495")
-
-# test-energy: ammonia 0 1 6-31G RMP2
-add_test(NAME ammonia_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia 6-31g)
-set_tests_properties(ammonia_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.27598101")
-
-# test-energy: ammonia 0 1 6-31GS RHF
-add_test(NAME ammonia_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia 6-31gs)
-set_tests_properties(ammonia_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.18194355")
-
-# test-energy: ammonia 0 1 6-31GS RMP2
-add_test(NAME ammonia_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia 6-31gs)
-set_tests_properties(ammonia_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.35669351")
-
-# test-energy: ammonia 0 1 6-31GSS RHF
-add_test(NAME ammonia_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia 6-31gss)
-set_tests_properties(ammonia_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.19287052")
-
-# test-energy: ammonia 0 1 6-31GSS RMP2
-add_test(NAME ammonia_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia 6-31gss)
-set_tests_properties(ammonia_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.38589139")
-
-# test-energy: ammonia 0 1 AUG-CC-PVDZ RHF
-add_test(NAME ammonia_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia aug-cc-pvdz)
-set_tests_properties(ammonia_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.20333414")
-
-# test-energy: ammonia 0 1 CC-PVDZ RHF
-add_test(NAME ammonia_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia cc-pvdz)
-set_tests_properties(ammonia_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.19421059")
-
-# test-energy: ammonia 0 1 CC-PVDZ RMP2
-add_test(NAME ammonia_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia cc-pvdz)
-set_tests_properties(ammonia_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.38485195")
-
-# test-energy: ammonia 0 1 CC-PVTZ RHF
-add_test(NAME ammonia_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia cc-pvtz)
-set_tests_properties(ammonia_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.21537711")
-
-# test-energy: ammonia 0 1 DEF2-SVP RHF
-add_test(NAME ammonia_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia def2-svp)
-set_tests_properties(ammonia_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.14695228")
-
-# test-energy: ammonia 0 1 DEF2-SVP RMP2
-add_test(NAME ammonia_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia def2-svp)
-set_tests_properties(ammonia_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.33786404")
-
-# test-energy: ammonia 0 1 DEF2-SVPD RHF
-add_test(NAME ammonia_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia def2-svpd)
-set_tests_properties(ammonia_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.15511578")
-
-# test-energy: ammonia 0 1 DEF2-TZVP RHF
-add_test(NAME ammonia_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia def2-tzvp)
-set_tests_properties(ammonia_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.21573158")
-
-# test-energy: ammonia 0 1 DEF2-TZVPD RHF
-add_test(NAME ammonia_0-1_def2-tzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia def2-tzvpd)
-set_tests_properties(ammonia_0-1_def2-tzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.21699480")
-
-# test-energy: ammonia 0 1 MINI RHF
-add_test(NAME ammonia_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia mini)
-set_tests_properties(ammonia_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-55.73779960")
-
-# test-energy: ammonia 0 1 MINI RMP2
-add_test(NAME ammonia_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia mini)
-set_tests_properties(ammonia_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-55.78661035")
-
-# test-energy: ammonia 0 1 STO-3G RHF
-add_test(NAME ammonia_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia sto-3g)
-set_tests_properties(ammonia_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-55.45541978")
-
-# test-energy: ammonia 0 1 STO-3G RMP2
-add_test(NAME ammonia_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia sto-3g)
-set_tests_properties(ammonia_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-55.50545855")
-
-# test-energy: ammonia 0 1 STO-6G RHF
-add_test(NAME ammonia_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ammonia sto-6g)
-set_tests_properties(ammonia_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-55.98920646")
-
-# test-energy: ammonia 0 1 STO-6G RMP2
-add_test(NAME ammonia_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ammonia sto-6g)
-set_tests_properties(ammonia_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-56.03994099")
-
-# test-energy: benzene 0 1 3-21G RHF
-add_test(NAME benzene_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf benzene 3-21g)
-set_tests_properties(benzene_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-229.41894237")
-
-# test-energy: benzene 0 1 6-31G RHF
-add_test(NAME benzene_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf benzene 6-31g)
-set_tests_properties(benzene_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-230.62409277")
-
-# test-energy: benzene 0 1 MINI RHF
-add_test(NAME benzene_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf benzene mini)
-set_tests_properties(benzene_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-228.80270223")
-
-# test-energy: benzene 0 1 MINI RMP2
-add_test(NAME benzene_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 benzene mini)
-set_tests_properties(benzene_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-229.11038364")
-
-# test-energy: benzene 0 1 STO-3G RHF
-add_test(NAME benzene_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf benzene sto-3g)
-set_tests_properties(benzene_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-227.89136037")
-
-# test-energy: benzene 0 1 STO-3G RMP2
-add_test(NAME benzene_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 benzene sto-3g)
-set_tests_properties(benzene_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-228.23863635")
-
-# test-energy: benzene 0 1 STO-6G RHF
-add_test(NAME benzene_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf benzene sto-6g)
-set_tests_properties(benzene_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-230.13109298")
-
-# test-energy: cyclopropanone 0 1 3-21G RHF
-add_test(NAME cyclopropanone_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cyclopropanone 3-21g)
-set_tests_properties(cyclopropanone_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-189.65212046")
-
-# test-energy: cyclopropanone 0 1 6-31G RHF
-add_test(NAME cyclopropanone_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cyclopropanone 6-31g)
-set_tests_properties(cyclopropanone_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-190.63328472")
-
-# test-energy: cyclopropanone 0 1 6-31GS RHF
-add_test(NAME cyclopropanone_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cyclopropanone 6-31gs)
-set_tests_properties(cyclopropanone_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-190.72379243")
-
-# test-energy: cyclopropanone 0 1 MINI RHF
-add_test(NAME cyclopropanone_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cyclopropanone mini)
-set_tests_properties(cyclopropanone_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-189.19380915")
-
-# test-energy: cyclopropanone 0 1 MINI RMP2
-add_test(NAME cyclopropanone_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 cyclopropanone mini)
-set_tests_properties(cyclopropanone_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-189.39489840")
-
-# test-energy: cyclopropanone 0 1 STO-3G RHF
-add_test(NAME cyclopropanone_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cyclopropanone sto-3g)
-set_tests_properties(cyclopropanone_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-188.29474250")
-
-# test-energy: cyclopropanone 0 1 STO-3G RMP2
-add_test(NAME cyclopropanone_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 cyclopropanone sto-3g)
-set_tests_properties(cyclopropanone_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-188.51724002")
-
-# test-energy: cyclopropanone 0 1 STO-6G RHF
-add_test(NAME cyclopropanone_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cyclopropanone sto-6g)
-set_tests_properties(cyclopropanone_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-190.12844707")
-
-# test-energy: cyclopropanone 0 1 STO-6G RMP2
-add_test(NAME cyclopropanone_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 cyclopropanone sto-6g)
-set_tests_properties(cyclopropanone_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-190.35408613")
-
-# test-energy: cysteine 0 1 MINI RHF
-add_test(NAME cysteine_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cysteine mini)
-set_tests_properties(cysteine_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-714.93042535")
-
-# test-energy: cysteine 0 1 STO-3G RHF
-add_test(NAME cysteine_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf cysteine sto-3g)
-set_tests_properties(cysteine_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-710.86969129")
-
-# test-energy: diethylether 0 1 3-21G RHF
-add_test(NAME diethylether_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf diethylether 3-21g)
-set_tests_properties(diethylether_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-230.85952176")
-
-# test-energy: diethylether 0 1 6-31G RHF
-add_test(NAME diethylether_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf diethylether 6-31g)
-set_tests_properties(diethylether_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-232.04066749")
-
-# test-energy: diethylether 0 1 MINI RHF
-add_test(NAME diethylether_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf diethylether mini)
-set_tests_properties(diethylether_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-230.25716408")
-
-# test-energy: diethylether 0 1 MINI RMP2
-add_test(NAME diethylether_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 diethylether mini)
-set_tests_properties(diethylether_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-230.48690831")
-
-# test-energy: diethylether 0 1 STO-3G RHF
-add_test(NAME diethylether_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf diethylether sto-3g)
-set_tests_properties(diethylether_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-229.30097989")
-
-# test-energy: diethylether 0 1 STO-3G RMP2
-add_test(NAME diethylether_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 diethylether sto-3g)
-set_tests_properties(diethylether_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-229.54559970")
-
-# test-energy: diethylether 0 1 STO-6G RHF
-add_test(NAME diethylether_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf diethylether sto-6g)
-set_tests_properties(diethylether_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-231.52146982")
-
-# test-energy: dimethylether 0 1 3-21G RHF
-add_test(NAME dimethylether_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf dimethylether 3-21g)
-set_tests_properties(dimethylether_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.21183232")
-
-# test-energy: dimethylether 0 1 3-21G RMP2
-add_test(NAME dimethylether_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 dimethylether 3-21g)
-set_tests_properties(dimethylether_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.51927438")
-
-# test-energy: dimethylether 0 1 6-31G RHF
-add_test(NAME dimethylether_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf dimethylether 6-31g)
-set_tests_properties(dimethylether_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.99211624")
-
-# test-energy: dimethylether 0 1 6-31GS RHF
-add_test(NAME dimethylether_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf dimethylether 6-31gs)
-set_tests_properties(dimethylether_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-154.06137993")
-
-# test-energy: dimethylether 0 1 MINI RHF
-add_test(NAME dimethylether_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf dimethylether mini)
-set_tests_properties(dimethylether_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.82873971")
-
-# test-energy: dimethylether 0 1 MINI RMP2
-add_test(NAME dimethylether_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 dimethylether mini)
-set_tests_properties(dimethylether_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.96254560")
-
-# test-energy: dimethylether 0 1 STO-3G RHF
-add_test(NAME dimethylether_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf dimethylether sto-3g)
-set_tests_properties(dimethylether_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.13387535")
-
-# test-energy: dimethylether 0 1 STO-3G RMP2
-add_test(NAME dimethylether_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 dimethylether sto-3g)
-set_tests_properties(dimethylether_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.27666187")
-
-# test-energy: dimethylether 0 1 STO-6G RHF
-add_test(NAME dimethylether_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf dimethylether sto-6g)
-set_tests_properties(dimethylether_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.60177280")
-
-# test-energy: dimethylether 0 1 STO-6G RMP2
-add_test(NAME dimethylether_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 dimethylether sto-6g)
-set_tests_properties(dimethylether_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.74653940")
-
-# test-energy: ethane 0 1 3-21G RHF
-add_test(NAME ethane_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane 3-21g)
-set_tests_properties(ethane_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.79391795")
-
-# test-energy: ethane 0 1 3-21G RMP2
-add_test(NAME ethane_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethane 3-21g)
-set_tests_properties(ethane_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.98490967")
-
-# test-energy: ethane 0 1 6-311GSS RHF
-add_test(NAME ethane_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane 6-311gss)
-set_tests_properties(ethane_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.25161242")
-
-# test-energy: ethane 0 1 6-31G RHF
-add_test(NAME ethane_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane 6-31g)
-set_tests_properties(ethane_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.19748093")
-
-# test-energy: ethane 0 1 6-31G RMP2
-add_test(NAME ethane_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethane 6-31g)
-set_tests_properties(ethane_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.38752377")
-
-# test-energy: ethane 0 1 6-31GS RHF
-add_test(NAME ethane_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane 6-31gs)
-set_tests_properties(ethane_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.22865329")
-
-# test-energy: ethane 0 1 6-31GSS RHF
-add_test(NAME ethane_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane 6-31gss)
-set_tests_properties(ethane_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.23812831")
-
-# test-energy: ethane 0 1 CC-PVDZ RHF
-add_test(NAME ethane_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane cc-pvdz)
-set_tests_properties(ethane_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.23464791")
-
-# test-energy: ethane 0 1 DEF2-SVP RHF
-add_test(NAME ethane_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane def2-svp)
-set_tests_properties(ethane_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.17471879")
-
-# test-energy: ethane 0 1 MINI RHF
-add_test(NAME ethane_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane mini)
-set_tests_properties(ethane_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.52145535")
-
-# test-energy: ethane 0 1 MINI RMP2
-add_test(NAME ethane_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethane mini)
-set_tests_properties(ethane_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.61809040")
-
-# test-energy: ethane 0 1 STO-3G RHF
-add_test(NAME ethane_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane sto-3g)
-set_tests_properties(ethane_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.30617965")
-
-# test-energy: ethane 0 1 STO-3G RMP2
-add_test(NAME ethane_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethane sto-3g)
-set_tests_properties(ethane_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.41271615")
-
-# test-energy: ethane 0 1 STO-6G RHF
-add_test(NAME ethane_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethane sto-6g)
-set_tests_properties(ethane_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.06591397")
-
-# test-energy: ethane 0 1 STO-6G RMP2
-add_test(NAME ethane_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethane sto-6g)
-set_tests_properties(ethane_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-79.17425685")
-
-# test-energy: ethanethiol 0 1 3-21G RHF
-add_test(NAME ethanethiol_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanethiol 3-21g)
-set_tests_properties(ethanethiol_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-474.34399227")
-
-# test-energy: ethanethiol 0 1 6-31G RHF
-add_test(NAME ethanethiol_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanethiol 6-31g)
-set_tests_properties(ethanethiol_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-476.66427859")
-
-# test-energy: ethanethiol 0 1 6-31GS RHF
-add_test(NAME ethanethiol_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanethiol 6-31gs)
-set_tests_properties(ethanethiol_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-476.73543457")
-
-# test-energy: ethanethiol 0 1 MINI RHF
-add_test(NAME ethanethiol_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanethiol mini)
-set_tests_properties(ethanethiol_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-474.04798364")
-
-# test-energy: ethanethiol 0 1 MINI RMP2
-add_test(NAME ethanethiol_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanethiol mini)
-set_tests_properties(ethanethiol_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-474.16670296")
-
-# test-energy: ethanethiol 0 1 STO-3G RHF
-add_test(NAME ethanethiol_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanethiol sto-3g)
-set_tests_properties(ethanethiol_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-471.47626547")
-
-# test-energy: ethanethiol 0 1 STO-3G RMP2
-add_test(NAME ethanethiol_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanethiol sto-3g)
-set_tests_properties(ethanethiol_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-471.60787712")
-
-# test-energy: ethanethiol 0 1 STO-6G RHF
-add_test(NAME ethanethiol_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanethiol sto-6g)
-set_tests_properties(ethanethiol_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-475.22850676")
-
-# test-energy: ethanethiol 0 1 STO-6G RMP2
-add_test(NAME ethanethiol_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanethiol sto-6g)
-set_tests_properties(ethanethiol_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-475.36206272")
-
-# test-energy: ethanol 0 1 3-21G RHF
-add_test(NAME ethanol_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanol 3-21g)
-set_tests_properties(ethanol_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.22063116")
-
-# test-energy: ethanol 0 1 3-21G RMP2
-add_test(NAME ethanol_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanol 3-21g)
-set_tests_properties(ethanol_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.52859650")
-
-# test-energy: ethanol 0 1 6-31G RHF
-add_test(NAME ethanol_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanol 6-31g)
-set_tests_properties(ethanol_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-154.00807283")
-
-# test-energy: ethanol 0 1 6-31G RMP2
-add_test(NAME ethanol_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanol 6-31g)
-set_tests_properties(ethanol_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-154.32024490")
-
-# test-energy: ethanol 0 1 6-31GS RHF
-add_test(NAME ethanol_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanol 6-31gs)
-set_tests_properties(ethanol_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-154.07174450")
-
-# test-energy: ethanol 0 1 MINI RHF
-add_test(NAME ethanol_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanol mini)
-set_tests_properties(ethanol_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.85623395")
-
-# test-energy: ethanol 0 1 MINI RMP2
-add_test(NAME ethanol_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanol mini)
-set_tests_properties(ethanol_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.98755008")
-
-# test-energy: ethanol 0 1 STO-3G RHF
-add_test(NAME ethanol_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanol sto-3g)
-set_tests_properties(ethanol_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.13306601")
-
-# test-energy: ethanol 0 1 STO-3G RMP2
-add_test(NAME ethanol_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanol sto-3g)
-set_tests_properties(ethanol_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-152.27427696")
-
-# test-energy: ethanol 0 1 STO-6G RHF
-add_test(NAME ethanol_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethanol sto-6g)
-set_tests_properties(ethanol_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.60126374")
-
-# test-energy: ethanol 0 1 STO-6G RMP2
-add_test(NAME ethanol_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethanol sto-6g)
-set_tests_properties(ethanol_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-153.74455839")
-
-# test-energy: ethylene 0 1 3-21G RHF
-add_test(NAME ethylene_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene 3-21g)
-set_tests_properties(ethylene_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.60069298")
-
-# test-energy: ethylene 0 1 3-21G RMP2
-add_test(NAME ethylene_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethylene 3-21g)
-set_tests_properties(ethylene_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.78309712")
-
-# test-energy: ethylene 0 1 6-311GSS RHF
-add_test(NAME ethylene_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene 6-311gss)
-set_tests_properties(ethylene_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.05448532")
-
-# test-energy: ethylene 0 1 6-31G RHF
-add_test(NAME ethylene_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene 6-31g)
-set_tests_properties(ethylene_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.00394206")
-
-# test-energy: ethylene 0 1 6-31G RMP2
-add_test(NAME ethylene_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethylene 6-31g)
-set_tests_properties(ethylene_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.18423680")
-
-# test-energy: ethylene 0 1 6-31GS RHF
-add_test(NAME ethylene_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene 6-31gs)
-set_tests_properties(ethylene_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.03145108")
-
-# test-energy: ethylene 0 1 6-31GS RMP2
-add_test(NAME ethylene_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethylene 6-31gs)
-set_tests_properties(ethylene_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.29324780")
-
-# test-energy: ethylene 0 1 6-31GSS RHF
-add_test(NAME ethylene_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene 6-31gss)
-set_tests_properties(ethylene_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.03859215")
-
-# test-energy: ethylene 0 1 CC-PVDZ RHF
-add_test(NAME ethylene_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene cc-pvdz)
-set_tests_properties(ethylene_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-78.03981979")
-
-# test-energy: ethylene 0 1 DEF2-SVP RHF
-add_test(NAME ethylene_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene def2-svp)
-set_tests_properties(ethylene_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.97768621")
-
-# test-energy: ethylene 0 1 DEF2-SVPD RHF
-add_test(NAME ethylene_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene def2-svpd)
-set_tests_properties(ethylene_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.97996824")
-
-# test-energy: ethylene 0 1 MINI RHF
-add_test(NAME ethylene_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene mini)
-set_tests_properties(ethylene_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.33749766")
-
-# test-energy: ethylene 0 1 MINI RMP2
-add_test(NAME ethylene_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethylene mini)
-set_tests_properties(ethylene_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.43938036")
-
-# test-energy: ethylene 0 1 STO-3G RHF
-add_test(NAME ethylene_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene sto-3g)
-set_tests_properties(ethylene_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.07395476")
-
-# test-energy: ethylene 0 1 STO-3G RMP2
-add_test(NAME ethylene_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethylene sto-3g)
-set_tests_properties(ethylene_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.19342534")
-
-# test-energy: ethylene 0 1 STO-6G RHF
-add_test(NAME ethylene_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf ethylene sto-6g)
-set_tests_properties(ethylene_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.82871159")
-
-# test-energy: ethylene 0 1 STO-6G RMP2
-add_test(NAME ethylene_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 ethylene sto-6g)
-set_tests_properties(ethylene_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-77.94998314")
-
-# test-energy: formaldehyde 0 1 3-21G RHF
-add_test(NAME formaldehyde_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde 3-21g)
-set_tests_properties(formaldehyde_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.22119685")
-
-# test-energy: formaldehyde 0 1 3-21G RMP2
-add_test(NAME formaldehyde_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde 3-21g)
-set_tests_properties(formaldehyde_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.44180890")
-
-# test-energy: formaldehyde 0 1 6-311GSS RHF
-add_test(NAME formaldehyde_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde 6-311gss)
-set_tests_properties(formaldehyde_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.89632452")
-
-# test-energy: formaldehyde 0 1 6-31G RHF
-add_test(NAME formaldehyde_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde 6-31g)
-set_tests_properties(formaldehyde_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.80762060")
-
-# test-energy: formaldehyde 0 1 6-31G RMP2
-add_test(NAME formaldehyde_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde 6-31g)
-set_tests_properties(formaldehyde_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-114.02883704")
-
-# test-energy: formaldehyde 0 1 6-31GS RHF
-add_test(NAME formaldehyde_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde 6-31gs)
-set_tests_properties(formaldehyde_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.86411147")
-
-# test-energy: formaldehyde 0 1 6-31GS RMP2
-add_test(NAME formaldehyde_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde 6-31gs)
-set_tests_properties(formaldehyde_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-114.17489761")
-
-# test-energy: formaldehyde 0 1 6-31GSS RHF
-add_test(NAME formaldehyde_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde 6-31gss)
-set_tests_properties(formaldehyde_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.86758666")
-
-# test-energy: formaldehyde 0 1 AUG-CC-PVDZ RHF
-add_test(NAME formaldehyde_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde aug-cc-pvdz)
-set_tests_properties(formaldehyde_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.88401636")
-
-# test-energy: formaldehyde 0 1 CC-PVDZ RHF
-add_test(NAME formaldehyde_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde cc-pvdz)
-set_tests_properties(formaldehyde_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.87495843")
-
-# test-energy: formaldehyde 0 1 CC-PVDZ RMP2
-add_test(NAME formaldehyde_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde cc-pvdz)
-set_tests_properties(formaldehyde_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-114.19754585")
-
-# test-energy: formaldehyde 0 1 DEF2-SVP RHF
-add_test(NAME formaldehyde_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde def2-svp)
-set_tests_properties(formaldehyde_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.77701168")
-
-# test-energy: formaldehyde 0 1 DEF2-SVP RMP2
-add_test(NAME formaldehyde_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde def2-svp)
-set_tests_properties(formaldehyde_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-114.09979471")
-
-# test-energy: formaldehyde 0 1 DEF2-SVPD RHF
-add_test(NAME formaldehyde_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde def2-svpd)
-set_tests_properties(formaldehyde_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.78556049")
-
-# test-energy: formaldehyde 0 1 MINI RHF
-add_test(NAME formaldehyde_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde mini)
-set_tests_properties(formaldehyde_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-112.97366078")
-
-# test-energy: formaldehyde 0 1 MINI RMP2
-add_test(NAME formaldehyde_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde mini)
-set_tests_properties(formaldehyde_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.07721527")
-
-# test-energy: formaldehyde 0 1 STO-3G RHF
-add_test(NAME formaldehyde_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde sto-3g)
-set_tests_properties(formaldehyde_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-112.35434712")
-
-# test-energy: formaldehyde 0 1 STO-3G RMP2
-add_test(NAME formaldehyde_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde sto-3g)
-set_tests_properties(formaldehyde_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-112.47215592")
-
-# test-energy: formaldehyde 0 1 STO-6G RHF
-add_test(NAME formaldehyde_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf formaldehyde sto-6g)
-set_tests_properties(formaldehyde_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.44075377")
-
-# test-energy: formaldehyde 0 1 STO-6G RMP2
-add_test(NAME formaldehyde_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 formaldehyde sto-6g)
-set_tests_properties(formaldehyde_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-113.55969223")
-
-# test-energy: heptane 0 1 MINI RHF
-add_test(NAME heptane_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf heptane mini)
-set_tests_properties(heptane_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-272.08463928")
-
-# test-energy: heptane 0 1 STO-3G RHF
-add_test(NAME heptane_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf heptane sto-3g)
-set_tests_properties(heptane_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-271.20726062")
-
-# test-energy: methane 0 1 3-21G RHF
-add_test(NAME methane_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane 3-21g)
-set_tests_properties(methane_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-39.97687752")
-
-# test-energy: methane 0 1 3-21G RMP2
-add_test(NAME methane_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane 3-21g)
-set_tests_properties(methane_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.07687500")
-
-# test-energy: methane 0 1 6-311GSS RHF
-add_test(NAME methane_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane 6-311gss)
-set_tests_properties(methane_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.20900757")
-
-# test-energy: methane 0 1 6-31G RHF
-add_test(NAME methane_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane 6-31g)
-set_tests_properties(methane_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.18055193")
-
-# test-energy: methane 0 1 6-31G RMP2
-add_test(NAME methane_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane 6-31g)
-set_tests_properties(methane_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.28000277")
-
-# test-energy: methane 0 1 6-31GS RHF
-add_test(NAME methane_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane 6-31gs)
-set_tests_properties(methane_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.19517074")
-
-# test-energy: methane 0 1 6-31GS RMP2
-add_test(NAME methane_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane 6-31gs)
-set_tests_properties(methane_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.33692434")
-
-# test-energy: methane 0 1 6-31GSS RHF
-add_test(NAME methane_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane 6-31gss)
-set_tests_properties(methane_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.20170402")
-
-# test-energy: methane 0 1 6-31GSS RMP2
-add_test(NAME methane_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane 6-31gss)
-set_tests_properties(methane_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.36985186")
-
-# test-energy: methane 0 1 AUG-CC-PVDZ RHF
-add_test(NAME methane_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane aug-cc-pvdz)
-set_tests_properties(methane_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.19952164")
-
-# test-energy: methane 0 1 CC-PVDZ RHF
-add_test(NAME methane_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane cc-pvdz)
-set_tests_properties(methane_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.19854470")
-
-# test-energy: methane 0 1 CC-PVDZ RMP2
-add_test(NAME methane_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane cc-pvdz)
-set_tests_properties(methane_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.36238874")
-
-# test-energy: methane 0 1 DEF2-SVP RHF
-add_test(NAME methane_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane def2-svp)
-set_tests_properties(methane_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.16905311")
-
-# test-energy: methane 0 1 DEF2-SVP RMP2
-add_test(NAME methane_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane def2-svp)
-set_tests_properties(methane_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.33366362")
-
-# test-energy: methane 0 1 DEF2-SVPD RHF
-add_test(NAME methane_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane def2-svpd)
-set_tests_properties(methane_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.16978073")
-
-# test-energy: methane 0 1 DEF2-TZVP RHF
-add_test(NAME methane_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane def2-tzvp)
-set_tests_properties(methane_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.21310336")
-
-# test-energy: methane 0 1 DEF2-TZVPD RHF
-add_test(NAME methane_0-1_def2-tzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane def2-tzvpd)
-set_tests_properties(methane_0-1_def2-tzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.21324458")
-
-# test-energy: methane 0 1 MINI RHF
-add_test(NAME methane_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane mini)
-set_tests_properties(methane_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-39.81350707")
-
-# test-energy: methane 0 1 MINI RMP2
-add_test(NAME methane_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane mini)
-set_tests_properties(methane_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-39.86234763")
-
-# test-energy: methane 0 1 STO-3G RHF
-add_test(NAME methane_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane sto-3g)
-set_tests_properties(methane_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-39.72686368")
-
-# test-energy: methane 0 1 STO-3G RMP2
-add_test(NAME methane_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane sto-3g)
-set_tests_properties(methane_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-39.78270594")
-
-# test-energy: methane 0 1 STO-6G RHF
-add_test(NAME methane_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf methane sto-6g)
-set_tests_properties(methane_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.11061063")
-
-# test-energy: methane 0 1 STO-6G RMP2
-add_test(NAME methane_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 methane sto-6g)
-set_tests_properties(methane_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-40.16734630")
-
-# test-energy: propane 0 1 3-21G RHF
-add_test(NAME propane_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propane 3-21g)
-set_tests_properties(propane_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-117.61323307")
-
-# test-energy: propane 0 1 6-31G RHF
-add_test(NAME propane_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propane 6-31g)
-set_tests_properties(propane_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-118.21600330")
-
-# test-energy: propane 0 1 6-31GS RHF
-add_test(NAME propane_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propane 6-31gs)
-set_tests_properties(propane_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-118.26341057")
-
-# test-energy: propane 0 1 MINI RHF
-add_test(NAME propane_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propane mini)
-set_tests_properties(propane_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-117.23397109")
-
-# test-energy: propane 0 1 MINI RMP2
-add_test(NAME propane_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 propane mini)
-set_tests_properties(propane_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-117.37932261")
-
-# test-energy: propane 0 1 STO-3G RHF
-add_test(NAME propane_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propane sto-3g)
-set_tests_properties(propane_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-116.88642216")
-
-# test-energy: propane 0 1 STO-3G RMP2
-add_test(NAME propane_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 propane sto-3g)
-set_tests_properties(propane_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-117.04442058")
-
-# test-energy: propane 0 1 STO-6G RHF
-add_test(NAME propane_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propane sto-6g)
-set_tests_properties(propane_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-118.02219903")
-
-# test-energy: propane 0 1 STO-6G RMP2
-add_test(NAME propane_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 propane sto-6g)
-set_tests_properties(propane_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-118.18293423")
-
-# test-energy: propylbenzene 0 1 MINI RHF
-add_test(NAME propylbenzene_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propylbenzene mini)
-set_tests_properties(propylbenzene_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-344.06474798")
-
-# test-energy: propylbenzene 0 1 STO-3G RHF
-add_test(NAME propylbenzene_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf propylbenzene sto-3g)
-set_tests_properties(propylbenzene_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-342.83532371")
-
-# test-energy: pyrrole 0 1 3-21G RHF
-add_test(NAME pyrrole_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf pyrrole 3-21g)
-set_tests_properties(pyrrole_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-207.64607371")
-
-# test-energy: pyrrole 0 1 6-31G RHF
-add_test(NAME pyrrole_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf pyrrole 6-31g)
-set_tests_properties(pyrrole_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-208.72818779")
-
-# test-energy: pyrrole 0 1 MINI RHF
-add_test(NAME pyrrole_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf pyrrole mini)
-set_tests_properties(pyrrole_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-207.13578887")
-
-# test-energy: pyrrole 0 1 MINI RMP2
-add_test(NAME pyrrole_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 pyrrole mini)
-set_tests_properties(pyrrole_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-207.40154463")
-
-# test-energy: pyrrole 0 1 STO-3G RHF
-add_test(NAME pyrrole_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf pyrrole sto-3g)
-set_tests_properties(pyrrole_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-206.22712067")
-
-# test-energy: pyrrole 0 1 STO-3G RMP2
-add_test(NAME pyrrole_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 pyrrole sto-3g)
-set_tests_properties(pyrrole_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-206.51394955")
-
-# test-energy: pyrrole 0 1 STO-6G RHF
-add_test(NAME pyrrole_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf pyrrole sto-6g)
-set_tests_properties(pyrrole_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-208.24847856")
-
-# test-energy: pyrrole 0 1 STO-6G RMP2
-add_test(NAME pyrrole_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 pyrrole sto-6g)
-set_tests_properties(pyrrole_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-208.54007735")
-
-# test-energy: water 0 1 3-21G RHF
-add_test(NAME water_0-1_3-21g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water 3-21g)
-set_tests_properties(water_0-1_3-21g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.58368698")
-
-# test-energy: water 0 1 3-21G RMP2
-add_test(NAME water_0-1_3-21g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water 3-21g)
-set_tests_properties(water_0-1_3-21g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.70882320")
-
-# test-energy: water 0 1 6-311GSS RHF
-add_test(NAME water_0-1_6-311gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water 6-311gss)
-set_tests_properties(water_0-1_6-311gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.04199269")
-
-# test-energy: water 0 1 6-311GSS RMP2
-add_test(NAME water_0-1_6-311gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water 6-311gss)
-set_tests_properties(water_0-1_6-311gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.28099841")
-
-# test-energy: water 0 1 6-31G RHF
-add_test(NAME water_0-1_6-31g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water 6-31g)
-set_tests_properties(water_0-1_6-31g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.97974732")
-
-# test-energy: water 0 1 6-31G RMP2
-add_test(NAME water_0-1_6-31g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water 6-31g)
-set_tests_properties(water_0-1_6-31g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.11188712")
-
-# test-energy: water 0 1 6-31GS RHF
-add_test(NAME water_0-1_6-31gs_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water 6-31gs)
-set_tests_properties(water_0-1_6-31gs_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.00679980")
-
-# test-energy: water 0 1 6-31GS RMP2
-add_test(NAME water_0-1_6-31gs_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water 6-31gs)
-set_tests_properties(water_0-1_6-31gs_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.19820599")
-
-# test-energy: water 0 1 6-31GSS RHF
-add_test(NAME water_0-1_6-31gss_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water 6-31gss)
-set_tests_properties(water_0-1_6-31gss_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.01883399")
-
-# test-energy: water 0 1 6-31GSS RMP2
-add_test(NAME water_0-1_6-31gss_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water 6-31gss)
-set_tests_properties(water_0-1_6-31gss_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.22079436")
-
-# test-energy: water 0 1 AUG-CC-PVDZ RHF
-add_test(NAME water_0-1_aug-cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water aug-cc-pvdz)
-set_tests_properties(water_0-1_aug-cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.03718714")
-
-# test-energy: water 0 1 CC-PVDZ RHF
-add_test(NAME water_0-1_cc-pvdz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water cc-pvdz)
-set_tests_properties(water_0-1_cc-pvdz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.02312306")
-
-# test-energy: water 0 1 CC-PVDZ RMP2
-add_test(NAME water_0-1_cc-pvdz_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water cc-pvdz)
-set_tests_properties(water_0-1_cc-pvdz_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.22985472")
-
-# test-energy: water 0 1 CC-PVTZ RHF
-add_test(NAME water_0-1_cc-pvtz_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water cc-pvtz)
-set_tests_properties(water_0-1_cc-pvtz_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.05261153")
-
-# test-energy: water 0 1 DEF2-SVP RHF
-add_test(NAME water_0-1_def2-svp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water def2-svp)
-set_tests_properties(water_0-1_def2-svp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.95702531")
-
-# test-energy: water 0 1 DEF2-SVP RMP2
-add_test(NAME water_0-1_def2-svp_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water def2-svp)
-set_tests_properties(water_0-1_def2-svp_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.16327778")
-
-# test-energy: water 0 1 DEF2-SVPD RHF
-add_test(NAME water_0-1_def2-svpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water def2-svpd)
-set_tests_properties(water_0-1_def2-svpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.96985299")
-
-# test-energy: water 0 1 DEF2-SVPD RMP2
-add_test(NAME water_0-1_def2-svpd_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water def2-svpd)
-set_tests_properties(water_0-1_def2-svpd_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.19071298")
-
-# test-energy: water 0 1 DEF2-TZVP RHF
-add_test(NAME water_0-1_def2-tzvp_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water def2-tzvp)
-set_tests_properties(water_0-1_def2-tzvp_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.05458100")
-
-# test-energy: water 0 1 DEF2-TZVPD RHF
-add_test(NAME water_0-1_def2-tzvpd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water def2-tzvpd)
-set_tests_properties(water_0-1_def2-tzvpd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.05689042")
-
-# test-energy: water 0 1 DEF2-TZVPPD RHF
-add_test(NAME water_0-1_def2-tzvppd_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water def2-tzvppd)
-set_tests_properties(water_0-1_def2-tzvppd_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-76.05920547")
-
-# test-energy: water 0 1 MINI RHF
-add_test(NAME water_0-1_mini_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water mini)
-set_tests_properties(water_0-1_mini_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.46449251")
-
-# test-energy: water 0 1 MINI RMP2
-add_test(NAME water_0-1_mini_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water mini)
-set_tests_properties(water_0-1_mini_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.49944132")
-
-# test-energy: water 0 1 MINI RFCI
-add_test(NAME water_0-1_mini_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci water mini)
-set_tests_properties(water_0-1_mini_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.51179452")
-
-# test-energy: water 0 1 STO-3G RHF
-add_test(NAME water_0-1_sto-3g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water sto-3g)
-set_tests_properties(water_0-1_sto-3g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-74.96590119")
-
-# test-energy: water 0 1 STO-3G RMP2
-add_test(NAME water_0-1_sto-3g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water sto-3g)
-set_tests_properties(water_0-1_sto-3g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.00485492")
-
-# test-energy: water 0 1 STO-3G RFCI
-add_test(NAME water_0-1_sto-3g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci water sto-3g)
-set_tests_properties(water_0-1_sto-3g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.02041033")
-
-# test-energy: water 0 1 STO-6G RHF
-add_test(NAME water_0-1_sto-6g_rhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rhf water sto-6g)
-set_tests_properties(water_0-1_sto-6g_rhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.68117985")
-
-# test-energy: water 0 1 STO-6G RMP2
-add_test(NAME water_0-1_sto-6g_rmp2_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 water sto-6g)
-set_tests_properties(water_0-1_sto-6g_rmp2_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.72047253")
-
-# test-energy: water 0 1 STO-6G RFCI
-add_test(NAME water_0-1_sto-6g_rfci_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_rfci water sto-6g)
-set_tests_properties(water_0-1_sto-6g_rfci_energy PROPERTIES PASS_REGULAR_EXPRESSION "-75.73623374")
+# final unrestricted HF energy
+add_test(NAME uhf_energy COMMAND ${PROJECT_SOURCE_DIR}/bin/test/test_uhf_energy water sto-3g 1 0)
+set_tests_properties(uhf_energy PROPERTIES PASS_REGULAR_EXPRESSION "-74.66228147")
diff --git a/script/testing.sh b/script/testing.sh
deleted file mode 100755
index 7d829c0..0000000
--- a/script/testing.sh
+++ /dev/null
@@ -1,68 +0,0 @@
-#!/bin/bash
-
-read -d '' RHF << EOF
-add_test(NAME %s COMMAND \${PROJECT_SOURCE_DIR}/bin/test/test_rhf %s %s)
-set_tests_properties(%s PROPERTIES PASS_REGULAR_EXPRESSION "%s")
-EOF
-
-read -d '' RMP2 << EOF
-add_test(NAME %s COMMAND \${PROJECT_SOURCE_DIR}/bin/test/test_rmp2 %s %s)
-set_tests_properties(%s PROPERTIES PASS_REGULAR_EXPRESSION "%s")
-EOF
-
-read -d '' RFCI << EOF
-add_test(NAME %s COMMAND \${PROJECT_SOURCE_DIR}/bin/test/test_rfci %s %s)
-set_tests_properties(%s PROPERTIES PASS_REGULAR_EXPRESSION "%s")
-EOF
-
-create() {
-    # extract the variables from the function arguments
-    SYSTEM="$1"; CHARGE="$2"; MULT="$3"; BASIS="${4,,}"; METHOD="$5"; BASISFILE=$(echo "$BASIS" | sed -e 's/+/p/g ; s/*/s/g')
-
-    # create the molecule block
-    jq -n --arg file "example/molecule/$SYSTEM.xyz" --arg basis "$BASIS" --argjson charge "$CHARGE" --argjson multiplicity "$MULT" '{molecule: $ARGS.named}' > molecule.json
-
-    # create the input file
-    if [ "$METHOD" == "RHF" ]; then
-        jq '. + {rhf: {}}' molecule.json > input.json
-    elif [ "$METHOD" == "RMP2" ]; then
-        jq '. + {rhf: {}, rmp: {}}' molecule.json > input.json
-    elif [ "$METHOD" == "RFCI" ]; then
-        jq '. + {rhf: {}, rci: {}}' molecule.json > input.json
-    fi
-
-    # run the program with a timeout
-    $(timeout 1 acorn input.json > output.out 2> /dev/null)
-
-    # create the test
-    if [ "$METHOD" == "RHF" ]; then
-        EXPECT=$(grep "RESTRICTED HARTREE-FOCK ENERGY" output.out | awk '{print $4}')
-        [[ "$EXPECT" ]] && printf "\n\n# test-energy: %s %d %d %s RHF\n" "$SYSTEM" "$CHARGE" "$MULT" "${BASIS^^}"; TNAME="${SYSTEM}_${CHARGE}-${MULT}_${BASISFILE}_rhf_energy"
-        [[ "$EXPECT" ]] && printf "$RHF" "$TNAME" "$SYSTEM" "$BASIS" "$TNAME" "$(echo $EXPECT | awk '{printf "%.8f", $1}')"
-    elif [ "$METHOD" == "RMP2" ]; then
-        EXPECT=$(grep "RESTRICTED MOLLER-PLESSET ENERGY" output.out | awk '{print $4}')
-        [[ "$EXPECT" ]] && printf "\n\n# test-energy: %s %d %d %s RMP2\n" "$SYSTEM" "$CHARGE" "$MULT" "${BASIS^^}"; TNAME="${SYSTEM}_${CHARGE}-${MULT}_${BASISFILE}_rmp2_energy"
-        [[ "$EXPECT" ]] && printf "$RMP2" "$TNAME" "$SYSTEM" "$BASIS" "$TNAME" "$(echo $EXPECT | awk '{printf "%.8f", $1}')"
-    elif [ "$METHOD" == "RFCI" ]; then
-        EXPECT=$(grep "RESTRICTED CONFIGURATION INTERACTION ENERGY" output.out | awk '{print $5}')
-        [[ "$EXPECT" ]] && printf "\n\n# test-energy: %s %d %d %s RFCI\n" "$SYSTEM" "$CHARGE" "$MULT" "${BASIS^^}"; TNAME="${SYSTEM}_${CHARGE}-${MULT}_${BASISFILE}_rfci_energy"
-        [[ "$EXPECT" ]] && printf "$RFCI" "$TNAME" "$SYSTEM" "$BASIS" "$TNAME" "$(echo $EXPECT | awk '{printf "%.8f", $1}')"
-    fi
-
-    # remove the temporary files
-    rm molecule.json input.json output.out
-}
-
-printf "# this file is for definitions of tests and can be generated by the testing.sh script in the script folder"
-
-for SYSTEM in example/molecule/*.xyz; do
-for BASIS in basis/*.g94; do
-    # extract the system name and basis set name
-    SYSTEM=$(basename "$SYSTEM" .xyz); BASIS=$(basename "$BASIS" .g94 | sed 's/augmentation/aug/g')
-
-    # create the tests of the restricted methods
-    create "$SYSTEM" 0 1 "$BASIS" "RHF"; create "$SYSTEM" 0 1 "$BASIS" "RMP2"; create "$SYSTEM" 0 1 "$BASIS" "RFCI"
-done
-done
-
-echo ""
diff --git a/test/rfci.cpp b/test/rfci_energy.cpp
similarity index 100%
rename from test/rfci.cpp
rename to test/rfci_energy.cpp
diff --git a/test/rhf.cpp b/test/rhf_energy.cpp
similarity index 100%
rename from test/rhf.cpp
rename to test/rhf_energy.cpp
diff --git a/test/rmp2.cpp b/test/rmp2_energy.cpp
similarity index 100%
rename from test/rmp2.cpp
rename to test/rmp2_energy.cpp
diff --git a/test/uhf.cpp b/test/uhf_energy.cpp
similarity index 100%
rename from test/uhf.cpp
rename to test/uhf_energy.cpp