Timestamp:
Jun 20, 2018, 8:21:14 AM (7 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.6.1, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph_contraction-expansion
Children:
06536b
Parents:
e72d94
git-author:
Frederik Heber <frederik.heber@…> (06/14/18 11:49:03)
git-committer:
Frederik Heber <frederik.heber@…> (06/20/18 08:21:14)
Message:

TESTFIX: Made integration tests for structure optimization of water and methane stricter.

  • bond graph optimization seems to reach far lower values in 30 steps.
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