Changeset 6dfa37 for src/Dynamics

Timestamp:

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

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued

Children:

3a5de5

Parents:

8270be

git-author:

Frederik Heber <frederik.heber@…> (06/27/17 21:04:40)

git-committer:

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

Message:

ForceAnnealing accepts option deltat.

File:

• src/Dynamics/ForceAnnealing.hpp (modified) (2 diffs)

src/Dynamics/ForceAnnealing.hpp

@@ -70 +70 @@
   ForceAnnealing(
       AtomSetMixin<T> &_atoms,
+      const double _Deltat,
       bool _IsAngstroem,
       const size_t _maxSteps,
       const int _max_distance,
       const double _damping_factor) :
-    AtomicForceManipulator<T>(_atoms, 1., _IsAngstroem),
+    AtomicForceManipulator<T>(_atoms, _Deltat, _IsAngstroem),
     maxSteps(_maxSteps),
     max_distance(_max_distance),
     damping_factor(_damping_factor)
   {}
+
   /** Destructor of class ForceAnnealing.
    *
@@ -120 +122 @@
         anneal(_CurrentTimeStep, _offset, maxComponents);
     }
-
 
     LOG(1, "STATUS: Largest remaining force components at step #"