Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
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Last change
on this file since eca3b6 was 7811bf, checked in by Frederik Heber <heber@…>, 15 years ago |
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Changed regression testsuite structure of Fragmentation.
- all numbered test cases now have meaningful names.
- renamed token of FragmentMoleculeAction: fragment-mol -> fragment-molecule.
- removed test case 1 where test.conf is checked, this is made sure elswhere.
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