Timestamp:
Aug 20, 2014, 1:04:08 PM (11 years ago)
Author:
Frederik Heber <heber@…>
Children:
1ae9aa
Parents:
0710bf
git-author:
Frederik Heber <heber@…> (06/29/14 18:02:32)
git-committer:
Frederik Heber <heber@…> (08/20/14 13:04:08)
Message:

Extended SphericalPointDistribution::Polygon_t to WeightedPolygon_t.

  • contains additionally the weights from the already present points.
  • in order to deal sensibly with present bonds of higher degree (>1) that shift neighboring occupied orbitals even further away, we additionally pass on the bond degree. This indicates how many points of the N points have to be accumulated for this on present bond.
  • TESTS: Regression test FragmentMolecule-cylces failing for the moment.
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