source: tests/regression/Molecules@ 2eded3e

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults 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 PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Name Size Rev Age Author Last Change
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 VerletIntegration 1e45f1f   11 years FrederikHeber Extended VerletIntegrationAction wirth Undo/Redo. - using new …
 Translation-Periodic 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
 Translation 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
 StretchBond 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.
 SaveSelectedMolecules 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
 SaveBonds 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
 SaveAdjacency c66ae6   10 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
 RotateToPrincipalAxisSystem 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.
 RotateAroundOrigin 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 …
 LinearInterpolationofTrajectories 0d97b4   12 years FrederikHeber FIX: Disclaimer appeared twice in each testsuite. Second time removed.
 ForceAnnealing 1a48d2   11 years FrederikHeber Added ForceAnnealingAction. - also added regression test. - performs …
 Copy 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
 ChangeBondAngle 9f5422   12 years FrederikHeber TESTFIX: ChangeBondAngle unnecessarily (re-)created bond graph. - …
 BondFile 87cadb   9 years FrederikHeber TESTS: Trimmed down TREMOLO dbond regression test.
testsuite-molecules.at 2.7 KB ​ 867473   10 years FrederikHeber Added new RemoveAction for molecules. - also add regression test. - …
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