source: tests/regression@ f4d063

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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Analysis 58bbd3   15 years FrederikHeber Cases 'C' are now handled by CommandLineUI. - TESTFIX: …
Domain 86cff86   14 years FrederikHeber InputAction now parses all possible formats, not only pcp. - new …
Filling eee966   14 years FrederikHeber New Action FillVoidWithMoleculeAction. - in contrast to …
Fragmentation 86cff86   14 years FrederikHeber InputAction now parses all possible formats, not only pcp. - new …
Graph 046a1e   15 years FrederikHeber Added case '-I' (subgraph dissection) to testsuite. - constructed …
Molecules 1a7fd2   14 years FrederikHeber New Action MoleculeAction/CopyAction.
Selection c77ac8   14 years FrederikHeber Added regression test for each SelectionAction on molecules. - new …
Simple_configuration 16462f   14 years FrederikHeber PdbParser is now complete with respect to additionalAtomData. - …
Tesselation 274d45   15 years FrederikHeber FIX: Atoms were stored not in the sequence they were loaded. 1. The …
atlocal.in 109 bytes ​ 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
CheckCommand.sh 1.3 KB ​ c77ac8   14 years FrederikHeber Added regression test for each SelectionAction on molecules. - new …
Makefile.am 2.7 KB ​ c77ac8   14 years FrederikHeber Added regression test for each SelectionAction on molecules. - new …
molecuilder.in 508 bytes ​ 2f6f51   14 years FrederikHeber Enabled XML file of valgrind errors, can be viewed with memcheckview.
testsuite-analysis.at 4.5 KB ​ faa1c9   14 years FrederikHeber BUGFIX: SubgraphDissectionAction() does not copy system anymore, has …
testsuite-domain.at 4.3 KB ​ cabb46   14 years FrederikHeber Extended LoadXyz and SaveXyz to any format. - renamed …
testsuite-filling.at 2.4 KB ​ ef3640e   14 years FrederikHeber TESTFIX: Filling/3 does not need MaxDistance as parameter.
testsuite-fragmentation.at 1.7 KB ​ 898e0a   14 years FrederikHeber TESTFIX: Fragmentation/* all needed replacement of option …
testsuite-graph.at 1.6 KB ​ faa1c9   14 years FrederikHeber BUGFIX: SubgraphDissectionAction() does not copy system anymore, has …
testsuite-molecules.at 9.5 KB ​ c42e60   14 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
testsuite-simple_configuration.at 20.0 KB ​ fc5c3a   14 years FrederikHeber Molecule's SaveAction saves selected molecules, World's OutputAction …
testsuite-specifics.at 313 bytes ​ 192f6e   14 years FrederikHeber FIX: Removed positional action "input". - BUG: This caused that input …
testsuite-standard_options.at 3.9 KB ​ 7230be   14 years FrederikHeber Added WarrantyAction. This closed ticket #117.
testsuite-tesselation.at 2.8 KB ​ 1d9b7d2   14 years FrederikHeber TESTFIX: Tesselation/* all needed replacement of option …
testsuite.at 854 bytes ​ 512f85   14 years FrederikHeber Added regression test for each SelectionAction on atoms. - Moved …
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