Timestamp:
Oct 3, 2016, 11:13:52 AM (9 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Fix_FitPotential_needs_atomicnumbers
Children:
11bab4
Parents:
be20db
git-author:
Frederik Heber <heber@…> (10/03/16 11:13:49)
git-committer:
Frederik Heber <heber@…> (10/03/16 11:13:52)
Message:

Added getSubgraph() to all EmpiricalPotentials.

  • this encodes the specific bonding structure which this potential represents and which allows finding all(!) subgraphs within the fragment graph in the correct manner.
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