source: tests/regression@ d4a44c

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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Tesselation caa06ef   14 years FrederikHeber Added name to PointCloudAdaptor, set by constructor. - name is used …
Selection 170ba6   14 years FrederikHeber BUGFIX: MoleculeOrderDescription was not working in reverse because of …
RandomNumbers 0275ad   14 years FrederikHeber Final step in Random numbers is done ... - requires CodePatterns …
Parser 0180d6   14 years FrederikHeber Enhanced XyzParser to load and save multiple time steps. - Extended …
Options aa04ae   14 years FrederikHeber Implemented SetWorldTimeAction and regression test on that. - …
Molecules 6a465e   14 years FrederikHeber Rewrote LoadMolecule() for PcpParser. - LoadMolecule() rewritten as …
Graph d4a44c   14 years FrederikHeber Renamed ConstructBondGraphAction -> CreateAdjacencyAction.
Fragmentation 7811bf   14 years FrederikHeber Changed regression testsuite structure of Fragmentation. - all …
Filling 7a51be   14 years FrederikHeber new function FormatParserStorage::get to obtain specialized …
Domain 8a957e   14 years FrederikHeber Changed regression testsuite structure of Domain. - all numbered test …
Atoms 61d69a4   14 years FrederikHeber Added MpqcParser_Parameter class to MpqcParser. - contains all extra …
Analysis b9bfa6   14 years FrederikHeber Changed regression testsuite structure of Selection/Atoms and …
testsuite.at 1.2 KB ​ 881c05   14 years FrederikHeber Changed regression testsuite structure of Tesselation. - all numbered …
molecuilder.in 508 bytes ​ 2f6f51   14 years FrederikHeber Enabled XML file of valgrind errors, can be viewed with memcheckview.
Makefile.am 7.6 KB ​ aa04ae   14 years FrederikHeber Implemented SetWorldTimeAction and regression test on that. - …
CheckCommand.sh 1.3 KB ​ c77ac8   14 years FrederikHeber Added regression test for each SelectionAction on molecules. - new …
atlocal.in 109 bytes ​ 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
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