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root/OpenMD/trunk/src/brains/ForceManager.cpp
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Comparing trunk/src/brains/ForceManager.cpp (file contents):
Revision 2057 by gezelter, Tue Mar 3 15:22:26 2015 UTC vs.
Revision 2060 by gezelter, Tue Mar 3 16:19:47 2015 UTC

# Line 626 | Line 626 | namespace OpenMD {
626      Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
627      DataStorage* config = &(curSnapshot->atomData);
628      DataStorage* cgConfig = &(curSnapshot->cgData);
629 –    int jstart, jend;
629  
630      //calculate the center of mass of cutoff group
631  
# Line 659 | Line 658 | namespace OpenMD {
658      RealType electroMult, vdwMult;
659      RealType vij;
660      Vector3d fij, fg, f1;
662 –    tuple3<RealType, RealType, RealType> cuts;
663 –    RealType rCut, rCutSq, rListSq;
661      bool in_switching_region;
662      RealType sw, dswdr, swderiv;
663      vector<int> atomListColumn, atomListRow;
# Line 725 | Line 722 | namespace OpenMD {
722          }
723        }
724  
725 <      for (unsigned int cg1 = 0; cg1 < point_.size() - 1; cg1++) {
725 >      for (cg1 = 0; cg1 < point_.size() - 1; cg1++) {
726          
727          atomListRow = fDecomp_->getAtomsInGroupRow(cg1);        
728          newAtom1 = true;

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