source: tests/regression/Fragmentation/FragmentMolecule/pre@ 866dec

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
../
test.conf 4.1 KB ​ 7811bf   14 years FrederikHeber Changed regression testsuite structure of Fragmentation. - all …
benzene.pdb 2.0 KB ​ 0588e9   11 years FrederikHeber AnalyseFragmentationResultsAction now also calculates and prints cycle …
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