source: tests/regression/Fragmentation@ 2f9faf

FitPartialCharges_GlobalError
Name Size Rev Age Author Last Change
../
AnalyseFragmentationResults d03800   8 years FrederikHeber TESTFIX: Redid all fragmentation containers for associated …
FragmentationAutomation 561b94   10 years FrederikHeber FIX: tests/regression FragmentationAutomation had a white space after …
FragmentMolecule 0588e9   11 years FrederikHeber AnalyseFragmentationResultsAction now also calculates and prints cycle …
FragmentMolecule-MaxOrder 321470   12 years FrederikHeber FIX: Fragmentation's OrderAtSite was written per molecule and with …
ParseSaveFragmentResults ef7b4b   8 years FrederikHeber ENABLEFIX: disable-jobmarket is now working. - needed to add …
StoreSaturatedFragment 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
testsuite-fragmentation.at 1.7 KB 73a5f7   9 years FrederikHeber Added parsing and saving of fragment results container state. - TEST: …
  • Property mode set to 040000
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