Timestamp:
Jun 20, 2018, 8:20:42 AM (7 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, StoppableMakroAction
Children:
646f73
Parents:
6a5921
git-author:
Frederik Heber <frederik.heber@…> (08/10/17 15:35:45)
git-committer:
Frederik Heber <frederik.heber@…> (06/20/18 08:20:42)
Message:

Rewrote annealWithBondGraph_BarzilaiBorwein() to simply distinguish expansion and contraction in bonds.

  • we shift the neighboring set away in case of expansion and towards in case of contraction.
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