Changeset 56b4c6 for src/Dynamics

Timestamp:

Apr 10, 2018, 6:43:11 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

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

Children:

0477b0

Parents:

985d1f

git-author:

Frederik Heber <frederik.heber@…> (05/24/17 09:55:56)

git-committer:

Frederik Heber <frederik.heber@…> (04/10/18 06:43:11)

Message:

Added damping-factor as another option to ForceAnnealing for proper testing of bond graph change effectiveness.

File:

• src/Dynamics/ForceAnnealing.hpp (modified) (1 diff)

src/Dynamics/ForceAnnealing.hpp

@@ -62 +62 @@
       bool _IsAngstroem,
       const size_t _maxSteps,
-      const int _max_distance) :
+      const int _max_distance,
+      const double _damping_factor) :
     AtomicForceManipulator<T>(_atoms, 1., _IsAngstroem),
     maxSteps(_maxSteps),
     max_distance(_max_distance),
-    damping_factor(0.5)
+    damping_factor(_damping_factor)
   {}
   /** Destructor of class ForceAnnealing.