source: ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt@ 860145

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open 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_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
ckpt_0clksb3lyp.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clksbp86.in 774 bytes ​ a844d8   55 years (none)
ckpt_0clkshfg96.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clkskmlyp.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clkskmlyp.qci 29 bytes ​ a844d8   55 years (none)
ckpt_0clksmpwpw91.in 777 bytes ​ a844d8   55 years (none)
ckpt_0clkspbe.in 773 bytes ​ a844d8   55 years (none)
ckpt_0clkspw91.in 774 bytes ​ a844d8   55 years (none)
ckpt_0clksspz81.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clkssvwn1.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clkssvwn1rpa.in 778 bytes ​ a844d8   55 years (none)
ckpt_0clkssvwn2.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clkssvwn3.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clkssvwn4.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clkssvwn5.in 775 bytes ​ a844d8   55 years (none)
ckpt_0clksxalpha.in 776 bytes ​ a844d8   55 years (none)
ckpt_0clscf.in 787 bytes ​ a844d8   55 years (none)
ckpt_0clscf.qci 25 bytes ​ a844d8   55 years (none)
ckpt_0efcopt.in 1.5 KB ​ a844d8   55 years (none)
ckpt_0efcopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_0hsosksxalpha.in 533 bytes ​ a844d8   55 years (none)
ckpt_0hsosscf.in 479 bytes ​ a844d8   55 years (none)
ckpt_0hsosscf.qci 27 bytes ​ a844d8   55 years (none)
ckpt_0mp2.in 732 bytes ​ a844d8   55 years (none)
ckpt_0mp2.qci 25 bytes ​ a844d8   55 years (none)
ckpt_0qnewtopt.in 1.0 KB ​ a844d8   55 years (none)
ckpt_0qnewtopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_0uksxalpha.in 530 bytes ​ a844d8   55 years (none)
ckpt_0zapt2.in 609 bytes ​ a844d8   55 years (none)
ckpt_0zapt2.qci 27 bytes ​ a844d8   55 years (none)
ckpt_1clksb3lyp.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clksblyp.in 120 bytes ​ a844d8   55 years (none)
ckpt_1clksbp86.in 120 bytes ​ a844d8   55 years (none)
ckpt_1clkshfg96.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clkskmlyp.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clkskmlyp.qci 30 bytes ​ a844d8   55 years (none)
ckpt_1clksmpwpw91.in 123 bytes ​ a844d8   55 years (none)
ckpt_1clkspbe.in 119 bytes ​ a844d8   55 years (none)
ckpt_1clkspw91.in 120 bytes ​ a844d8   55 years (none)
ckpt_1clksspz81.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clkssvwn1.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clkssvwn1rpa.in 124 bytes ​ a844d8   55 years (none)
ckpt_1clkssvwn2.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clkssvwn3.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clkssvwn4.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clkssvwn5.in 121 bytes ​ a844d8   55 years (none)
ckpt_1clksxalpha.in 122 bytes ​ a844d8   55 years (none)
ckpt_1clscf.in 117 bytes ​ a844d8   55 years (none)
ckpt_1clscf.qci 26 bytes ​ a844d8   55 years (none)
ckpt_1efcopt.in 99 bytes ​ a844d8   55 years (none)
ckpt_1efcopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_1hsosksxalpha.in 124 bytes ​ a844d8   55 years (none)
ckpt_1hsosscf.in 119 bytes ​ a844d8   55 years (none)
ckpt_1hsosscf.qci 28 bytes ​ a844d8   55 years (none)
ckpt_1mp2.in 115 bytes ​ a844d8   55 years (none)
ckpt_1mp2.qci 26 bytes ​ a844d8   55 years (none)
ckpt_1qnewtopt.in 101 bytes ​ a844d8   55 years (none)
ckpt_1qnewtopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_1uksxalpha.in 121 bytes ​ a844d8   55 years (none)
ckpt_1zapt2.in 116 bytes ​ a844d8   55 years (none)
ckpt_1zapt2.qci 27 bytes ​ a844d8   55 years (none)
ckpt_2efcopt.in 98 bytes ​ a844d8   55 years (none)
ckpt_2efcopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_2qnewtopt.in 100 bytes ​ a844d8   55 years (none)
ckpt_2qnewtopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_clksb3lyp.in 776 bytes ​ a844d8   55 years (none)
ckpt_clksbp86.in 775 bytes ​ a844d8   55 years (none)
ckpt_clkshfg96.in 776 bytes ​ a844d8   55 years (none)
ckpt_clkskmlyp.in 776 bytes ​ a844d8   55 years (none)
ckpt_clkskmlyp.qci 30 bytes ​ a844d8   55 years (none)
ckpt_clksmpwpw91.in 778 bytes ​ a844d8   55 years (none)
ckpt_clkspbe.in 774 bytes ​ a844d8   55 years (none)
ckpt_clkspw91.in 775 bytes ​ a844d8   55 years (none)
ckpt_clksspz81.in 776 bytes ​ a844d8   55 years (none)
ckpt_clkssvwn1.in 776 bytes ​ a844d8   55 years (none)
ckpt_clkssvwn1rpa.in 779 bytes ​ a844d8   55 years (none)
ckpt_clkssvwn2.in 776 bytes ​ a844d8   55 years (none)
ckpt_clkssvwn3.in 776 bytes ​ a844d8   55 years (none)
ckpt_clkssvwn4.in 776 bytes ​ a844d8   55 years (none)
ckpt_clkssvwn5.in 776 bytes ​ a844d8   55 years (none)
ckpt_clksxalpha.in 777 bytes ​ a844d8   55 years (none)
ckpt_clscf.in 788 bytes ​ a844d8   55 years (none)
ckpt_clscf.qci 26 bytes ​ a844d8   55 years (none)
ckpt_efcopt.in 1.5 KB ​ a844d8   55 years (none)
ckpt_efcopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_hsosksxalpha.in 534 bytes ​ a844d8   55 years (none)
ckpt_hsosscf.in 480 bytes ​ a844d8   55 years (none)
ckpt_hsosscf.qci 28 bytes ​ a844d8   55 years (none)
ckpt_mp2.in 733 bytes ​ a844d8   55 years (none)
ckpt_mp2.qci 26 bytes ​ a844d8   55 years (none)
ckpt_qnewtopt.in 1010 bytes ​ a844d8   55 years (none)
ckpt_qnewtopt.qci 26 bytes ​ a844d8   55 years (none)
ckpt_uksxalpha.in 531 bytes ​ a844d8   55 years (none)
energy.qci 29 bytes ​ a844d8   55 years (none)
gradient.qci 30 bytes ​ a844d8   55 years (none)
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.