source: ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS@ 86fb69

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction Subpackage_levmar Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
clhf.in 735 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clhf.out 7.2 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clhf.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_b3lyp.in 975 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_b3lyp.out 8.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_b3lyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_b88.in 891 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_b88.out 8.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_b88.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_blyp.in 924 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_blyp.out 8.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_blyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_kmlyp.in 784 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_kmlyp.out 9.1 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_kmlyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_lsdax.in 773 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_lsdax.out 8.2 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_lsdax.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_xa.in 772 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_xa.out 8.1 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
clks_xa.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsoshf.in 705 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsoshf.out 6.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsoshf.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_b3lyp.in 945 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_b3lyp.out 8.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_b3lyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_b88.in 861 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_b88.out 8.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_b88.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_blyp.in 894 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_blyp.out 8.1 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_blyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_kmlyp.in 754 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_kmlyp.out 8.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_kmlyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_lsdax.in 743 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_lsdax.out 7.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_lsdax.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_xa.in 742 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_xa.out 7.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hsosks_xa.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
osshf.in 659 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
osshf.out 6.2 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
osshf.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
qmmm1.in 1017 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
qmmm1.out 8.1 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
qmmm1.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
qmmm2.in 1017 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
qmmm2.out 8.1 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
qmmm2.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
tchf.in 658 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
tchf.out 7.7 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
tchf.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-clhf.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-clks_b3lyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-clks_b88.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-clks_blyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-clks_kmlyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-clks_lsdax.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-clks_xa.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-hsoshf.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-hsosks_b3lyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-hsosks_b88.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-hsosks_blyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-hsosks_kmlyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-hsosks_lsdax.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-hsosks_xa.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-osshf.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-qmmm1.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-qmmm2.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-tchf.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-uhf.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-uks_b3lyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-uks_b88.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-uks_blyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-uks_kmlyp.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-uks_lsdax.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs-uks_xa.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-methodsinputs.at 2.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uhf.in 699 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uhf.out 6.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uhf.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_b3lyp.in 939 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_b3lyp.out 8.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_b3lyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_b88.in 855 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_b88.out 8.6 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_b88.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_blyp.in 888 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_blyp.out 8.7 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_blyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_kmlyp.in 748 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_kmlyp.out 10.2 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_kmlyp.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_lsdax.in 737 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_lsdax.out 8.6 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_lsdax.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_xa.in 736 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_xa.out 8.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uks_xa.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
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