source: ThirdParty/mpqc_open/src/bin/mpqc/validate/methods@ 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 Candidate_v1.7.0 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
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hsosks_blyp.qci 30 bytes ​ 13e5be   56 years (none)
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hsosks_xa.qci 30 bytes ​ 13e5be   56 years (none)
mp2r12ap_+ebc.in 6.6 KB ​ 13e5be   56 years (none)
mp2r12ap_+ebc.qci 29 bytes ​ 13e5be   56 years (none)
mp2r12ap_+gbc+ebc.in 6.6 KB ​ 13e5be   56 years (none)
mp2r12ap_+gbc+ebc.qci 29 bytes ​ 13e5be   56 years (none)
mp2r12ap_+gbc.in 6.6 KB ​ 13e5be   56 years (none)
mp2r12ap_+gbc.qci 29 bytes ​ 13e5be   56 years (none)
mp2r12ap_abs+.in 6.6 KB ​ 13e5be   56 years (none)
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mp2r12ap_abs.in 6.6 KB ​ 13e5be   56 years (none)
mp2r12ap_abs.qci 29 bytes ​ 13e5be   56 years (none)
mp2r12ap_cabs+.in 6.6 KB ​ 13e5be   56 years (none)
mp2r12ap_cabs+.qci 29 bytes ​ 13e5be   56 years (none)
mp2r12ap_cabs.in 6.6 KB ​ 13e5be   56 years (none)
mp2r12ap_cabs.qci 29 bytes ​ 13e5be   56 years (none)
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uks_b3lyp.in 939 bytes ​ 13e5be   56 years (none)
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uks_b88.qci 30 bytes ​ 13e5be   56 years (none)
uks_blyp.in 888 bytes ​ 13e5be   56 years (none)
uks_blyp.qci 30 bytes ​ 13e5be   56 years (none)
uks_kmlyp.in 748 bytes ​ 13e5be   56 years (none)
uks_kmlyp.qci 30 bytes ​ 13e5be   56 years (none)
uks_lsdax.in 737 bytes ​ 13e5be   56 years (none)
uks_lsdax.qci 30 bytes ​ 13e5be   56 years (none)
uks_xa.in 736 bytes ​ 13e5be   56 years (none)
uks_xa.qci 30 bytes ​ 13e5be   56 years (none)
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