Changeset bd19c1 for tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at

Timestamp:

Jun 20, 2018, 8:21:14 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph_contraction-expansion

Children:

0682c2

Parents:

06536b

git-author:

Frederik Heber <frederik.heber@…> (06/15/18 20:08:26)

git-committer:

Frederik Heber <frederik.heber@…> (06/20/18 08:21:14)

Message:

Capping BB update step at 0.2 and general BB stepwidth at maximum of 1.

• TESTFIX: Python regression tests on ForceAnnealing for five carbon have been modified. With bondgraph results are not as good as before.

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