source: ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS@ 1c350e

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
../
h2o_scfsto3gc2.in 1.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc1frq.in 1.8 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc1frq.out 45.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc1frq.qci 401 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc1optfrq.in 1.8 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc1optfrq.out 67.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc1optfrq.qci 402 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc2vfrq.in 1.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc2vfrq.out 39.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc2vfrq.qci 402 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc2voptfrq.in 1.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc2voptfrq.out 61.8 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp200sto3gc2voptfrq.qci 403 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc1frq.in 1.8 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc1frq.out 53.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc1frq.qci 403 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc1optfrq.in 1.8 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc1optfrq.out 81.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc1optfrq.qci 404 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc2vfrq.in 1.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc2vfrq.out 47.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc2vfrq.qci 404 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc2voptfrq.in 1.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc2voptfrq.out 75.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_mp2006311gssc2voptfrq.qci 405 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc1frq.in 1.6 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc1frq.out 21.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc1frq.qci 401 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc1optfrq.in 1.6 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc1optfrq.out 30.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc1optfrq.qci 402 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc2vfrq.in 1.7 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc2vfrq.out 19.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc2vfrq.qci 402 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc2voptfrq.in 1.7 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc2voptfrq.out 28.9 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scf6311gssc2voptfrq.qci 403 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc1frq.in 1.6 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc1frq.out 20.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc1frq.qci 399 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc1optfrq.in 1.6 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc1optfrq.out 28.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc1optfrq.qci 400 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc2vfrq.in 1.7 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc2vfrq.out 18.1 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc2vfrq.qci 400 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc2voptfrq.in 1.7 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc2voptfrq.out 26.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
h2ofrq_scfsto3gc2voptfrq.qci 401 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc1frq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc1optfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc2vfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc2voptfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc1frq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc1optfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc2vfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc2voptfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scf6311gssc1frq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scf6311gssc1optfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scf6311gssc2vfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scf6311gssc2voptfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scfsto3gc1frq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scfsto3gc1optfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scfsto3gc2vfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs-h2ofrq_scfsto3gc2voptfrq.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-h2ofrqinputs.at 2.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
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