source: ThirdParty/mpqc_open/src/bin/mpqc@ dabe63

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph 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 PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes
Name Size Rev Age Author Last Change
../
validate 854a1e   8 years FrederikHeber Increased max_jobs to 8 for all testsuite's Makefiles.am. - running …
sample a844d8   55 years (none)
version.h 27 bytes ​ a844d8   55 years (none)
scdirlist.h 1.3 KB ​ 5b2946   8 years FrederikHeber configure.ac working, mpqc compiles, linking fails.
scan.ll 3.0 KB ​ a844d8   55 years (none)
scan.cc 48.6 KB ​ a844d8   55 years (none)
parse.yy 6.2 KB ​ a844d8   55 years (none)
parse.h 3.4 KB ​ a844d8   55 years (none)
parse.cc 43.3 KB ​ a844d8   55 years (none)
mpqcwar.dox 263 bytes ​ a844d8   55 years (none)
mpqcval.dox 5.2 KB ​ a844d8   55 years (none)
mpqcsimp.dox 8.1 KB ​ a844d8   55 years (none)
mpqcrunproc 992 bytes ​ a844d8   55 years (none)
mpqcrunning.dox 12.8 KB ​ a844d8   55 years (none)
mpqcrun.in 18.5 KB ​ a844d8   55 years (none)
mpqcrun.dox 5.3 KB ​ a844d8   55 years (none)
mpqcover.dox 703 bytes ​ a844d8   55 years (none)
mpqcoo.dox 38.1 KB ​ a844d8   55 years (none)
mpqclic.dox 275 bytes ​ a844d8   55 years (none)
mpqcinp.dox 586 bytes ​ a844d8   55 years (none)
mpqcin.h 3.6 KB ​ a844d8   55 years (none)
mpqcin.cc 17.4 KB ​ a844d8   55 years (none)
mpqccomp.dox 179 bytes ​ a844d8   55 years (none)
mpqc_main.cc 2.0 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
mpqc_extract_dummy.cc 1.2 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
mpqc_extract.h 335 bytes ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
mpqc.h 2.5 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
mpqc.dox 622 bytes ​ a844d8   55 years (none)
mpqc.cc 43.0 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
Makefile.am 4.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
LIBS.h 547 bytes ​ a844d8   55 years (none)
  • Property mode set to 040000
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