source: tests/regression/Fragmentation/AnalyseFragmentationResults/post@ 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
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LongRange 866dec   7 years frederik.heber ForceAnnealing no longer resets forces, AnalyseFragmentResults now …
ShortRange d03800   8 years FrederikHeber TESTFIX: Redid all fragmentation containers for associated …
alkane-3.data 1.3 KB ​ e5ebaf   12 years FrederikHeber Forces obtained from fragmentation summation are now set. - i.e. they …
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