Timestamp:
Sep 11, 2008, 1:28:25 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
4a434c
Parents:
63b5c31
git-author:
Frederik Heber <heber@…> (09/09/08 16:42:29)
git-committer:
Frederik Heber <heber@…> (09/11/08 13:28:25)
Message:

molecule::MinimiseConstrainedPotential() : Minimisation is fixed

Now, minimisation works. The re-occurence of doubles despite pair-wise exchanging during argument minimisation was due to a wrong DistanceIterator list setting in the injective minimisation before.
Also, we enhanced the minimisation finding (though it is not optimal yet!) by going through each possible target in the distance list from the very beginning (i.e. we also take again smaller distances into account).
For control purpose PrintPermutationMap also checks on the number of doubles (i.e. target's that are owned by two sources).

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