Changeset 49e803 for src/Actions/MoleculeAction/ForceAnnealingAction.cpp

Timestamp:

Sep 30, 2016, 3:51:24 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Add_FitFragmentPartialChargesAction, Fix_ChargeSampling_PBC, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ParseParticles_split_forward_backward_Actions

Children:

4d1aef

Parents:

ee19b7

git-author:

Frederik Heber <heber@…> (09/27/16 11:30:09)

git-committer:

Frederik Heber <heber@…> (09/30/16 15:51:24)

Message:

FIX: Stepping on to next time step in ForceAnnealing was deactivated.

• this is probably bad when using the ForceAnnealing action alone. Only at the moment we don't have an action that progresses one time step.

File:

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

src/Actions/MoleculeAction/ForceAnnealingAction.cpp ¶

@@ -119 +119 @@
   STATUS("Successfully optimized structure by one step.");
 
-//  // increment to next time step
-//  World::getInstance().setTime(CurrentStep+1);
+  // increment to next time step
+  World::getInstance().setTime(CurrentStep+1);
 
   std::vector<AtomicInfo> RedoInfo;