Timestamp:
Aug 20, 2014, 1:04:08 PM (11 years ago)
Author:
Frederik Heber <heber@…>
Children:
0d4daf
Parents:
11cc05
git-author:
Frederik Heber <heber@…> (05/29/14 18:15:49)
git-committer:
Frederik Heber <heber@…> (08/20/14 13:04:08)
Message:

SphericalPointDistribution now has full functionality.

  • we look for a best matching between present points and desired ideal configuration, we rotate for alignment and fill all remaining vacant points with hydrogens.
  • TESTS: temporarily skipping all Fragmentation regression tests, FragmentationAutomation regression tests marked as XFAIL.
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