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root/OpenMD/trunk/src/brains/ForceManager.cpp
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Comparing trunk/src/brains/ForceManager.cpp (file contents):
Revision 1923 by gezelter, Mon Aug 5 16:13:46 2013 UTC vs.
Revision 1924 by gezelter, Mon Aug 5 21:46:11 2013 UTC

# Line 665 | Line 665 | namespace OpenMD {
665      Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
666      DataStorage* config = &(curSnapshot->atomData);
667      DataStorage* cgConfig = &(curSnapshot->cgData);
668 +
669  
670      //calculate the center of mass of cutoff group
671  
# Line 770 | Line 771 | namespace OpenMD {
771          rgrpsq = d_grp.lengthSquare();
772  
773          if (rgrpsq < rCutSq) {
773 –
774            if (iLoop == PAIR_LOOP) {
775              vij = 0.0;
776              fij.zero();
# Line 827 | Line 827 | namespace OpenMD {
827                
828                  r = sqrt( *(idat.r2) );
829                  idat.rij = &r;
830 <              
830 >
831                  if (iLoop == PREPAIR_LOOP) {
832                    interactionMan_->doPrePair(idat);
833                  } else {

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