Changeset 58787b for src/Actions/MoleculeAction/ForceAnnealingAction.cpp

Timestamp:

Jul 20, 2017, 9:38:37 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued

Children:

539845

Parents:

7d2364

git-author:

Frederik Heber <frederik.heber@…> (05/19/17 14:29:40)

git-committer:

Frederik Heber <frederik.heber@…> (07/20/17 09:38:37)

Message:

ForceAnnealing now shifts atoms in the bond graph to anneal forces, too.

File:

• src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified) (1 diff)

src/Actions/MoleculeAction/ForceAnnealingAction.cpp

@@ -93 +93 @@
       set,
       true,
-      params.steps.get());
+      params.steps.get(),
+      params.MaxDistance.get());
   // parse forces into next step
   if (!params.forcesfile.get().string().empty()) {