Timestamp:
Apr 10, 2018, 6:43:12 AM (7 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision
Children:
8c6b68
Parents:
12f16c
git-author:
Frederik Heber <frederik.heber@…> (09/11/17 17:03:27)
git-committer:
Frederik Heber <frederik.heber@…> (04/10/18 06:43:12)
Message:

Readded step-world-time to StructuralOptimization.

  • adapted ForceAnnealing and its Action accordingly, i.e. they receive the old time step as the current step.
  • TESTFIX: needed to add "--step-world-time 1" to ForceAnnealing regression test, results then remained exactly the same.
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