source: ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS@ 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
../
hfch2opt.in 168 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfch2opt.out 17.2 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfch2opt.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2ofreq.ckpt.hess 1.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2ofreq.hess 905 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2ofreq.in 164 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2ofreq.out 24.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2ofreq.qci 29 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2oopt.in 161 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2oopt.out 13.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
hfh2oopt.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
ksh2o.in 175 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
ksh2o.out 24.2 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
ksh2o.qci 29 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
ksh2oco.in 189 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
ksh2oco.out 24.1 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
ksh2oco.qci 29 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
mp2h2o.in 162 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
mp2h2o.out 10.7 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
mp2h2o.qci 29 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
rhfch2opt.in 169 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
rhfch2opt.out 14.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
rhfch2opt.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
rksch2.in 183 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
rksch2.out 23.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
rksch2.qci 29 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-hfch2opt.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-hfh2ofreq.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-hfh2oopt.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-ksh2o.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-ksh2oco.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-mp2h2o.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-rhfch2opt.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-rksch2.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-uhfch2opt.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-uksch2.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs-zapt2ch2.at 1.3 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
testsuite-inputinputs.at 1.4 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uhfch2opt.in 169 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uhfch2opt.out 17.2 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uhfch2opt.qci 30 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uksch2.in 183 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uksch2.out 26.5 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
uksch2.qci 29 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
zapt2ch2.in 158 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
zapt2ch2.out 9.0 KB ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
zapt2ch2.qci 29 bytes ​ 398fcd   8 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
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