--- trunk/src/brains/ForceManager.cpp	2013/06/16 15:15:42	1879
+++ trunk/src/brains/ForceManager.cpp	2013/07/02 20:02:31	1896
@@ -695,7 +695,7 @@ namespace OpenMD {
     RealType vij;
     Vector3d fij, fg, f1;
     tuple3<RealType, RealType, RealType> cuts;
-    RealType rCutSq;
+    RealType rCut, rCutSq, rListSq;
     bool in_switching_region;
     RealType sw, dswdr, swderiv;
     vector<int> atomListColumn, atomListRow;
@@ -705,15 +705,16 @@ namespace OpenMD {
     RealType vpair;
     RealType dVdFQ1(0.0);
     RealType dVdFQ2(0.0);
-    Vector3d eField1(0.0);
-    Vector3d eField2(0.0);
     potVec longRangePotential(0.0);
     potVec workPot(0.0);
     potVec exPot(0.0);
+    Vector3d eField1(0.0);
+    Vector3d eField2(0.0);
     vector<int>::iterator ia, jb;
 
     int loopStart, loopEnd;
-
+    
+    idat.rcut = &rCut;
     idat.vdwMult = &vdwMult;
     idat.electroMult = &electroMult;
     idat.pot = &workPot;
@@ -746,26 +747,26 @@ namespace OpenMD {
         if (update_nlist) {
           if (!usePeriodicBoundaryConditions_)
             Mat3x3d bbox = thermo->getBoundingBox();
-          neighborList = fDecomp_->buildNeighborList();
+          fDecomp_->buildNeighborList(neighborList_);
         }
       }
 
-      for (vector<pair<int, int> >::iterator it = neighborList.begin(); 
-             it != neighborList.end(); ++it) {
+      for (vector<pair<int, int> >::iterator it = neighborList_.begin(); 
+             it != neighborList_.end(); ++it) {
                 
         cg1 = (*it).first;
         cg2 = (*it).second;
         
-        cuts = fDecomp_->getGroupCutoffs(cg1, cg2);
+        fDecomp_->getGroupCutoffs(cg1, cg2, rCut, rCutSq, rListSq);
 
         d_grp  = fDecomp_->getIntergroupVector(cg1, cg2);
 
-        curSnapshot->wrapVector(d_grp);        
+        // already wrapped in the getIntergroupVector call:
+        // curSnapshot->wrapVector(d_grp);        
         rgrpsq = d_grp.lengthSquare();
-        rCutSq = cuts.second;
 
         if (rgrpsq < rCutSq) {
-          idat.rcut = &cuts.first;
+
           if (iLoop == PAIR_LOOP) {
             vij = 0.0;
             fij.zero();
@@ -918,7 +919,7 @@ namespace OpenMD {
         }
       }
     }
-   
+    
     // collects pairwise information
     fDecomp_->collectData();