source: tests/regression/Potential@ 4d08b7

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges
Name Size Rev Age Author Last Change
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FitFragmentPartialCharges 4d08b7   8 years FrederikHeber Added FitFragmentPartialChargesAction that fits partial charges to …
FitPartialCharges 87662aa   9 years FrederikHeber TESTFIX: regression test fit-partial-charges needs to contains …
FitPotential b8f2ea   9 years FrederikHeber FIX: PotentialTrainer did not use user-specified threshold so far. - …
SaveParseParticleParameters d7bb964   9 years FrederikHeber ParseParticleParametersAction now uses TremoloPotentialFileParser. - …
SaveParsePotentials 75237f   9 years FrederikHeber Added regression test for parsing and saving potentials file.
testsuite-potential.at 1.5 KB 4d08b7   8 years FrederikHeber Added FitFragmentPartialChargesAction that fits partial charges to …
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