Changeset 41521a for pcp/src

Timestamp:

Apr 21, 2008, 2:19:26 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

9422fd

Parents:

c13d72

git-author:

Frederik Heber <heber@…> (04/21/08 13:09:44)

git-committer:

Frederik Heber <heber@…> (04/21/08 14:19:26)

Message:

UpdateActualPsiNo(): FIX (found with "git bisect"). About 20 commits ago, R->CurrentMin switch was removed so that perturbed Psis also got orthonormalized (instead of orthogonalized). This broke the minimisation (as in MinimisePerturbed() everything is still set to orthogonalize).

File:

• pcp/src/run.c (modified) (1 diff)

pcp/src/run.c

@@ -292 +292 @@
     SpeedMeasure(P, GramSchTime, StartTimeDo);
     //OrthogonalizePsis(P);
-    GramSch(P, R->LevS, &P->Lat.Psi, Orthonormalize);
+    if (R->CurrentMin <= UnOccupied)
+      GramSch(P, R->LevS, &P->Lat.Psi, Orthonormalize);
+    else
+      GramSch(P, R->LevS, &P->Lat.Psi, Orthogonalize); //Orthogonalize
     SpeedMeasure(P, GramSchTime, StopTimeDo);  
   }