Timestamp:
Nov 7, 2017, 7:34:56 AM (7 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
ForceAnnealing_with_BondGraph_continued_betteresults
Children:
10b1ef
Parents:
0f9726
git-author:
Frederik Heber <frederik.heber@…> (08/03/17 10:47:26)
git-committer:
Frederik Heber <frederik.heber@…> (11/07/17 07:34:56)
Message:

FIX: ForceAnnealingAction's Undo is again working.

  • AtomicInfo::setAtom() and SetAtomsFromAtomicInfo() now accept a time step. This allows to undo changes to the old state (where forces might have been passed to) and the current state (modified by time integration).
  • TESTFIX: ForceAnnealing's undo test.conf was no longer valid since the additional time stepping is extracted (and the tests were changed already). I.e. the extra trajectory step is because of step-world-time and not because of force-annealing. Hence, it should not be undone here.
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