source: tests/Examples@ c4c113

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 Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation 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 PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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PartialChargeFitting fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
Simple fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
atlocal.in 34 bytes ​ 8e0112   8 years FrederikHeber Added missing atlocal.in and molecuilder.in in tests Examples and …
Makefile.am 1.5 KB ​ 854a1e   8 years FrederikHeber Increased max_jobs to 8 for all testsuite's Makefiles.am. - running …
molecuilder.in 514 bytes ​ 8e0112   8 years FrederikHeber Added missing atlocal.in and molecuilder.in in tests Examples and …
molecuilder_poolworker.in 300 bytes ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-examples.at 1005 bytes ​ 51662a   8 years FrederikHeber Added Example with partial charge fitting to water molecule.
testsuite.at 1.2 KB ​ 4464ef   8 years FrederikHeber Added Examples tests that integrate the full fragment automation pipeline.
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