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