Timestamp:
Apr 10, 2018, 6:43:12 AM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
AutomationFragmentation_failures, Candidate_v1.6.1, Candidate_v1.7.0, 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, stable
Children:
d3e1d5
Parents:
075357
git-author:
Frederik Heber <frederik.heber@…> (09/12/17 09:55:19)
git-committer:
Frederik Heber <frederik.heber@…> (04/10/18 06:43:12)
Message:

FIX: annealWithBondgraph() did not check for zero GradientDifference.

  • extracted Barzilai-Borwein stepwidth into extra function.
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