source: tests/regression/Potential/FitPartialCharges/pre@ 038ccd

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
../
water.pdb 561 bytes ​ 50d49d   9 years FrederikHeber FIX: Renamed FitParticleCharges -> FitPartialCharges. - fitting …
measurement_function.py 1.5 KB ​ 16c6f7   9 years FrederikHeber TESTFIX: Recreated fragmentation results and homology containers for …
homology_grid.dat 139.7 KB ​ 16c6f7   9 years FrederikHeber TESTFIX: Recreated fragmentation results and homology containers for …
atomfragments.dat 92 bytes ​ 1ab6fc   9 years FrederikHeber TESTFIX: regression test fit-partial-charges requires atomfragments file.
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