source: ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt@ 4f20e7

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
../
mbpt_mp2mem.in 815 bytes ​ a844d8   55 years (none)
mbpt_mp2mem.qci 26 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_auto.in 817 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_auto.qci 25 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_c1.in 813 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_c1.qci 25 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_dyn.in 831 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_dyn.qci 26 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_mp.in 812 bytes ​ a844d8   55 years (none)
mbpt_mp2mem_mp.qci 25 bytes ​ a844d8   55 years (none)
mbpt_mp2r12_c6h6_multipass.in 2.4 KB ​ a844d8   55 years (none)
mbpt_mp2r12_c6h6_multipass.qci 31 bytes ​ a844d8   55 years (none)
mbpt_mp2r12_ne2.in 1.7 KB ​ a844d8   55 years (none)
mbpt_mp2r12_ne2.qci 31 bytes ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_dyn.in 1.7 KB ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_dyn.qci 31 bytes ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_multipass.in 1.8 KB ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_multipass.qci 31 bytes ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_posix.in 1.8 KB ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_posix.qci 31 bytes ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_tz.in 1.7 KB ​ a844d8   55 years (none)
mbpt_mp2r12_ne2_tz.qci 31 bytes ​ a844d8   55 years (none)
mbpt_mp2v1.in 810 bytes ​ a844d8   55 years (none)
mbpt_mp2v1.qci 25 bytes ​ a844d8   55 years (none)
mbpt_mp2v2.in 810 bytes ​ a844d8   55 years (none)
mbpt_mp2v2.qci 25 bytes ​ a844d8   55 years (none)
mbpt_mp2v2_mp.in 807 bytes ​ a844d8   55 years (none)
mbpt_mp2v2_mp.qci 25 bytes ​ a844d8   55 years (none)
mbpt_mp2v2lb.in 812 bytes ​ a844d8   55 years (none)
mbpt_mp2v2lb.qci 25 bytes ​ a844d8   55 years (none)
mbpt_opt12v1.in 837 bytes ​ a844d8   55 years (none)
mbpt_opt12v1.qci 29 bytes ​ a844d8   55 years (none)
mbpt_opt12v2.in 837 bytes ​ a844d8   55 years (none)
mbpt_opt12v2.qci 29 bytes ​ a844d8   55 years (none)
mbpt_opt12v2lb.in 839 bytes ​ a844d8   55 years (none)
mbpt_opt12v2lb.qci 29 bytes ​ a844d8   55 years (none)
mbpt_opt22v1.in 837 bytes ​ a844d8   55 years (none)
mbpt_opt22v1.qci 29 bytes ​ a844d8   55 years (none)
mbpt_opt22v2.in 837 bytes ​ a844d8   55 years (none)
mbpt_opt22v2.qci 29 bytes ​ a844d8   55 years (none)
mbpt_opt22v2lb.in 839 bytes ​ a844d8   55 years (none)
mbpt_opt22v2lb.qci 29 bytes ​ a844d8   55 years (none)
mbpt_zapt2v1.in 837 bytes ​ a844d8   55 years (none)
mbpt_zapt2v1.qci 27 bytes ​ a844d8   55 years (none)
mbpt_zapt2v2.in 837 bytes ​ a844d8   55 years (none)
mbpt_zapt2v2.qci 27 bytes ​ a844d8   55 years (none)
mbpt_zapt2v2lb.in 839 bytes ​ a844d8   55 years (none)
mbpt_zapt2v2lb.qci 27 bytes ​ a844d8   55 years (none)
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