source: tests/regression/Molecules@ 2fe4a5

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests 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_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 FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks 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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BondFile 87cadb   9 years FrederikHeber TESTS: Trimmed down TREMOLO dbond regression test.
ChangeBondAngle 9f5422   12 years FrederikHeber TESTFIX: ChangeBondAngle unnecessarily (re-)created bond graph. - …
Copy 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
ForceAnnealing 1a48d2   10 years FrederikHeber Added ForceAnnealingAction. - also added regression test. - performs …
LinearInterpolationofTrajectories 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
Remove 7daf73   9 years FrederikHeber LinkedCell's LinkedList is now a vector and no longer a set. - this …
RotateAroundOrigin 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
RotateAroundSelf 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
RotateToPrincipalAxisSystem 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
SaveAdjacency c66ae6   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
SaveBonds 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
SaveSelectedMolecules 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
SaveTemperature 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
StretchBond 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
Translation 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
Translation-Periodic 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
VerletIntegration 1e45f1f   10 years FrederikHeber Extended VerletIntegrationAction wirth Undo/Redo. - using new …
testsuite-molecules.at 2.7 KB ​ 867473   10 years FrederikHeber Added new RemoveAction for molecules. - also add regression test. - …
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