Changeset 1ea892 for tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data

Timestamp:

Nov 7, 2017, 7:36:23 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued_betteresults

Children:

19f59c

Parents:

d9c229

git-author:

Frederik Heber <frederik.heber@…> (09/12/17 09:55:19)

git-committer:

Frederik Heber <frederik.heber@…> (11/07/17 07:36:23)

Message:

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

• extracted Barzilai-Borwein stepwidth into extra function.

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