Timestamp:
Jun 20, 2018, 8:21:13 AM (7 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.6.1, Candidate_v1.7.0, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, stable
Children:
31baf0
Parents:
883d98
git-author:
Frederik Heber <frederik.heber@…> (12/05/17 09:10:11)
git-committer:
Frederik Heber <frederik.heber@…> (06/20/18 08:21:13)
Message:

Preventing cancelling updates for optimization with bond graph.

  • we check norm of single updates against gathered update. If the latter is very small, we perform a regular optimization step.
  • extracted method annealAtom_BB() to this end.
  • Moreover, we cap the maximum BB update at 0.5 as it tends to overshoot.
  • TESTS: This fixes the issue with 2-body Ising model Python regression test where this issue occurs.
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