Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
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Last change
on this file since 2a28cd was 14de469, checked in by Frederik Heber <heber@…>, 17 years ago |
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-initial commit
-Minimum set of files needed from ESPACK SVN repository
-Switch to three tantamount package parts instead of all relating to pcp (as at some time Ralf's might find inclusion as well)
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