source: tests/regression/Fragmentation/AnalyseFragmentationResults/pre@ 7516f6

Action_Thermostats Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
../
alkane-3.pdb 3.2 KB ​ 6ff62c   12 years FrederikHeber Added DoValenceOnly has new option to FragmentationAutomationAction. …
BondFragmentLongRangeResults_OBC.dat 4.8 MB ​ d03800   9 years FrederikHeber TESTFIX: Redid all fragmentation containers for associated …
BondFragmentLongRangeResults_PBC.dat 4.7 MB ​ d03800   9 years FrederikHeber TESTFIX: Redid all fragmentation containers for associated …
BondFragmentShortRangeResults.dat 53.2 KB ​ d03800   9 years FrederikHeber TESTFIX: Redid all fragmentation containers for associated …
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