source: tests/regression/Fragmentation/FragmentMolecule@ eca3b6

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges
Name Size Rev Age Author Last Change
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post 7811bf   15 years FrederikHeber Changed regression testsuite structure of Fragmentation. - all …
pre 0588e9   12 years FrederikHeber AnalyseFragmentationResultsAction now also calculates and prints cycle …
testsuite-fragmentation-fragment-molecule.at 2.7 KB ​ 0588e9   12 years FrederikHeber AnalyseFragmentationResultsAction now also calculates and prints cycle …
  • Property mode set to 040000
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