source: ThirdParty/mpqc_open/src/bin/mpqc@ aae63a

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 Candidate_v1.7.1 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
../
validate 22d431   10 years FrederikHeber Changes to mpqc/validate's Makefile to make it work in target check.
sample 5169d1b   57 years (none)
version.h 27 bytes ​ 5169d1b   57 years (none)
scdirlist.h 1.3 KB ​ 5b2946   10 years FrederikHeber configure.ac working, mpqc compiles, linking fails.
scan.ll 3.0 KB ​ 5169d1b   57 years (none)
scan.cc 48.6 KB ​ 5169d1b   57 years (none)
parse.yy 6.2 KB ​ 5169d1b   57 years (none)
parse.h 3.4 KB ​ 5169d1b   57 years (none)
parse.cc 43.3 KB ​ 5169d1b   57 years (none)
mpqcwar.dox 263 bytes ​ 5169d1b   57 years (none)
mpqcval.dox 5.2 KB ​ 5169d1b   57 years (none)
mpqcsimp.dox 8.1 KB ​ 5169d1b   57 years (none)
mpqcrunproc 992 bytes ​ 5169d1b   57 years (none)
mpqcrunning.dox 12.8 KB ​ 5169d1b   57 years (none)
mpqcrun.in 18.5 KB ​ 5169d1b   57 years (none)
mpqcrun.dox 5.3 KB ​ 5169d1b   57 years (none)
mpqcover.dox 703 bytes ​ 5169d1b   57 years (none)
mpqcoo.dox 38.1 KB ​ 5169d1b   57 years (none)
mpqclic.dox 275 bytes ​ 5169d1b   57 years (none)
mpqcinp.dox 586 bytes ​ 5169d1b   57 years (none)
mpqcin.h 3.6 KB ​ 5169d1b   57 years (none)
mpqcin.cc 17.4 KB ​ 5169d1b   57 years (none)
mpqccomp.dox 179 bytes ​ 5169d1b   57 years (none)
mpqc.dox 622 bytes ​ 5169d1b   57 years (none)
mpqc.cc 69.4 KB ​ d192142   10 years FrederikHeber FIX: Fixed some mpqc crashes in check target due to hacked …
Makefile.am 1.2 KB ​ 5b2946   10 years FrederikHeber configure.ac working, mpqc compiles, linking fails.
LIBS.h 547 bytes ​ 5169d1b   57 years (none)
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