Timestamp:
Nov 12, 2017, 8:40:54 AM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
ForceAnnealing_with_BondGraph_continued_betteresults
Children:
e96f35
Parents:
59634f
git-author:
Frederik Heber <frederik.heber@…> (06/20/17 20:26:12)
git-committer:
Frederik Heber <frederik.heber@…> (11/12/17 08:40:54)
Message:

ForceAnnealing can now be used either atom- or bond-centered.

  • atom is old annealing method, bond graph is new annealing method where the bond neighborhood is shifted as well to anneal to force projected onto the BondVector.
  • In the first step we always use atom-centered annealing where we use the given deltat step width. Afterwards Barzilai-Borwein may then proceed.
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