source: tests/regression/Fragmentation@ 97dff0

Name Size Rev Age Author Last Change
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AnalyseFragmentationResults d29b31   11 years FrederikHeber Longrange energy is now also calculated for level 1. - level 1 sum is …
FragmentationAutomation a61dbb   11 years FrederikHeber In CommandLineUI actions are skipped after failing action. - …
FragmentMolecule 97dff0   11 years FrederikHeber Reimplemented SaturatedFragment::saturateAtom() and added …
FragmentMolecule-MaxOrder 321470   12 years FrederikHeber FIX: Fragmentation's OrderAtSite was written per molecule and with …
StoreSaturatedFragment 97dff0   11 years FrederikHeber Reimplemented SaturatedFragment::saturateAtom() and added …
testsuite-fragmentation.at 1.6 KB a61dbb   11 years FrederikHeber In CommandLineUI actions are skipped after failing action. - …
  • Property mode set to 040000
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