Changeset ac79b2

Timestamp:

Aug 2, 2017, 8:27:30 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued

Children:

8bfb58

Parents:

ef59aa

Message:

tempcommit: Merge with 698308e2

File:

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

src/Dynamics/ForceAnnealing.hpp

@@ -435 +435 @@
         LOG(4, "DEBUG: current position is " << currentPosition);
         LOG(4, "DEBUG: difference in position is " << PositionDifference);
+        LOG(4, "DEBUG: bondvector is " << BondVector);
+        const double projected_PositionDifference = PositionDifference.ScalarProduct(BondVector);
+        LOG(4, "DEBUG: difference in position projected onto bondvector is "
+            << projected_PositionDifference);
         LOG(4, "DEBUG: abs. difference in forces is " << bondforcedifference);
-        LOG(4, "DEBUG: bondvector is " << BondVector);
 
         // calculate step width
         double stepwidth =
-            fabs(PositionDifference.ScalarProduct(BondVector))/bondforcedifference;
+            fabs(projected_PositionDifference)/bondforcedifference;
         if (fabs(stepwidth) < 1e-10) {
           // dont' warn in first step, deltat usage normal