Changeset 5f869d7 for src/Actions/GlobalListOfActions.hpp

Timestamp:

May 8, 2017, 1:54:49 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_goodresults, ForceAnnealing_tocheck

Children:

cb4037

Parents:

af78af

git-author:

Frederik Heber <heber@…> (03/28/17 09:33:11)

git-committer:

Frederik Heber <frederik.heber@…> (05/08/17 13:54:49)

Message:

Added four GeometryActions to convert atom positions into vectors.

• added reverse switch to distance and plane to vector Actions.
• InputToVector has coordinates to differentiate from position option. This eases use with CommandLineParser where option names need to be unique.

File:

• src/Actions/GlobalListOfActions.hpp (modified) (1 diff)

src/Actions/GlobalListOfActions.hpp

@@ -69 +69 @@
   (FragmentationStoreSaturatedFragment) \
   (FragmentationStructuralOptimization) \
+  (GeometryDistanceToVector) \
+  (GeometryInputToVector) \
+  (GeometryPlaneToVector) \
+  (GeometryPositionToVector) \
   (GraphUpdateMolecules) \
   (GraphCorrectBondDegree) \