Timestamp:
Oct 9, 2016, 9:19:14 PM (9 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Add_FitFragmentPartialChargesAction, Fix_ChargeSampling_PBC, Fix_FitPartialCharges
Children:
4d08b7
Parents:
dfd0f7
git-author:
Frederik Heber <heber@…> (10/09/16 21:19:12)
git-committer:
Frederik Heber <heber@…> (10/09/16 21:19:14)
Message:

FIX: PartialNucleiChargeFitter needs to reconstruct matrix after SVD.

  • SVD overwrites original matrix and this causes the residuum to be calculated wrong.
(No files)

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