Changeset c5ac2a

Timestamp:

Sep 19, 2017, 9:59:46 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Children:

24bb38, 8e7966e

Parents:

1db3520

git-author:

Frederik Heber <frederik.heber@…> (09/19/17 21:59:32)

git-committer:

Frederik Heber <frederik.heber@…> (09/19/17 21:59:46)

Message:

FIX: Removed deltat reduction from anneal_BarzilaiBorwein() as it stops convergence at some point.

File:

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

src/Dynamics/ForceAnnealing.hpp

@@ -282 +282 @@
       for(size_t i=0;i<NDIM;++i)
         maxComponents[i] = std::max(maxComponents[i], fabs(currentGradient[i]));
-
-      // steps may go back and forth again (updates are of same magnitude but
-      // have different sign: Check whether this is the case and one step with
-      // deltat to interrupt this sequence
-      if (!PositionDifference.IsZero())
-        if ((PositionUpdate.ScalarProduct(PositionDifference) < 0)
-            && (fabs(PositionUpdate.NormSquared()-PositionDifference.NormSquared()) < 1e-3)) {
-          // for convergence we want a null sequence here, too
-          if (!deltat_decreased) {
-            deltat_decreased = true;
-            currentDeltat = .5*currentDeltat;
-          }
-          LOG(2, "DEBUG: Upgrade in other direction: " << PositionUpdate
-              << " > " << PositionDifference
-              << ", using deltat: " << currentDeltat);
-          PositionUpdate = currentDeltat * currentGradient;
-      }
 
       // finally set new values