source: tests/regression/Molecules@ 3f6aac

Action_Thermostats Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation 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 Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Name Size Rev Age Author Last Change
../
VerletIntegration 7294dc   8 years frederik.heber FIX: Fixing the use of the trajectories that were changed to maps. - …
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   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
RotateToPrincipalAxisSystem 536b13   8 years frederik.heber RotateToPrincipalAxisSystemAction now has Undo/Redo working. - TESTS: …
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.
RotateAroundBond 5e17bf   8 years frederik.heber Added test in RotateAroundBondAction whether given bond is cyclic. - …
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   10 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 2.8 KB ​ 788dce   8 years frederik.heber Added RotateAroundBondAction. - TESTS: added regression test. - DOCU: …
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.