Changeset 4bb8930 for pcp

Timestamp:

Apr 21, 2008, 2:19:25 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

d48972

Parents:

b76b97

git-author:

Frederik Heber <heber@…> (04/18/08 15:35:40)

git-committer:

Frederik Heber <heber@…> (04/21/08 14:19:25)

Message:

UpdateWaveAfterIonMove(): made possible with every R->CurrentMin, and bugfix: AllPsiStatus instead of LocalPsiStatus

File:

• pcp/src/grad.c (modified) (3 diffs)

pcp/src/grad.c

@@ -1183 +1183 @@
   //fprintf(stderr, "%lg\n", alpha);
   if (P->R.AlphaStep > 1 && alpha != 0.0) {
-    for (i=0; i < Psi->LocalNo; i++) {
+    for (i=Psi->TypeStartIndex[Occupied]; i < Psi->TypeStartIndex[Perturbed_P0]; i++) {
       source = LevS->LPsi->LocalPsi[i];
       source_old = LevS->LPsi->OldLocalPsi[i];
@@ -1194 +1194 @@
     }
   } else {
-    for (i=0; i < Psi->LocalNo; i++) {
+    for (i=Psi->TypeStartIndex[Occupied]; i < Psi->TypeStartIndex[Perturbed_P0]; i++) {
       source = LevS->LPsi->LocalPsi[i];
       source_old = LevS->LPsi->OldLocalPsi[i];
@@ -1213 +1213 @@
     for (i=0; i < P->Par.Max_me_comm_ST_PsiT; i++) {
       for (p=ResetNo; p < ResetNo+Psi->AllLocalNo[i]-1; p++) {
-                                Psi->AllPsiStatus[p].PsiGramSchStatus = (Psi->LocalPsiStatus[p].PsiType == Occupied) ? (int)NotOrthogonal : (int)NotUsedToOrtho;
+                                Psi->AllPsiStatus[p].PsiGramSchStatus = (Psi->AllPsiStatus[p].PsiType == Occupied) ? (int)NotOrthogonal : (int)NotUsedToOrtho;
         //if (R->CurrentMin > UnOccupied) 
         //fprintf(stderr,"(%i) Setting A-Status of %i to %i\n",P->Par.me,p, Psi->AllPsiStatus[p].PsiGramSchStatus);