source: tests/regression@ 1d5afa5

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 274d45   15 years FrederikHeber FIX: Atoms were stored not in the sequence they were loaded. 1. The …
Simple_configuration 16462f   14 years FrederikHeber PdbParser is now complete with respect to additionalAtomData. - …
Selection 5817ef   14 years FrederikHeber FIX: regression test Selections/Atoms/6 did not use /bin/cp. - if cp …
RandomNumbers 0275ad   14 years FrederikHeber Final step in Random numbers is done ... - requires CodePatterns …
Molecules 1a7fd2   14 years FrederikHeber New Action MoleculeAction/CopyAction.
Graph 4e855e   14 years FrederikHeber BondGraph::LoadBondLengthTable() now accepts istream instead of const …
Fragmentation 17f3cd   14 years FrederikHeber Placed regression tests Fragmentation into own folder and one file …
Filling 9df680   14 years FrederikHeber FIX: FillVoidWithMolecule() now centers filler molecule at its center …
Domain 86cff86   15 years FrederikHeber InputAction now parses all possible formats, not only pcp. - new …
Analysis 4782599   14 years FrederikHeber FIX: new regression test for PrincipalAxisSystemAction is prone to …
testsuite.at 945 bytes ​ 17f3cd   14 years FrederikHeber Placed regression tests Fragmentation into own folder and one file …
testsuite-tesselation.at 2.7 KB ​ e6f9c5   14 years FrederikHeber Removed all -e ${abs_top_srcdir} from regression tests. - Now only …
testsuite-standard_options.at 3.8 KB ​ ad7270   14 years FrederikHeber Reduced initial verbosity of code. FIX: - initUI() - no more …
testsuite-specifics.at 313 bytes ​ 192f6e   15 years FrederikHeber FIX: Removed positional action "input". - BUG: This caused that input …
testsuite-simple_configuration.at 19.3 KB ​ e6f9c5   14 years FrederikHeber Removed all -e ${abs_top_srcdir} from regression tests. - Now only …
testsuite-molecules.at 8.9 KB ​ cb9de4   14 years FrederikHeber Parameter for rotate-around-self axis is now called 'axis' not …
testsuite-graph.at 2.1 KB ​ 4e855e   14 years FrederikHeber BondGraph::LoadBondLengthTable() now accepts istream instead of const …
testsuite-domain.at 4.1 KB ​ e6f9c5   14 years FrederikHeber Removed all -e ${abs_top_srcdir} from regression tests. - Now only …
molecuilder.in 508 bytes ​ 2f6f51   14 years FrederikHeber Enabled XML file of valgrind errors, can be viewed with memcheckview.
Makefile.am 3.8 KB ​ 17f3cd   14 years FrederikHeber Placed regression tests Fragmentation into own folder and one file …
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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