Changeset 9861d0 for tests/regression/Molecules/ForceAnnealing/post

Timestamp:

Apr 10, 2018, 6:43:30 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

825d33

Parents:

2f3905

git-author:

Frederik Heber <frederik.heber@…> (06/29/17 14:40:12)

git-committer:

Frederik Heber <frederik.heber@…> (04/10/18 06:43:30)

Message:

BondVectors now return subset of BondVectors for a given atom.

• functionality extracted from ForceAnnealing::annealWithBondgraph().
• also the mapped_t type is now kept up-to-date internally as we need it for returning the subset efficiently over a number of atoms, e.g. all in the given range.
• also moved a few simple implementations over to _impl module.

(No files)