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root/OpenMD/trunk/src/brains/ForceManager.cpp
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Comparing trunk/src/brains/ForceManager.cpp (file contents):
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1893 by gezelter, Wed Jun 19 17:19:07 2013 UTC

# Line 705 | Line 705 | namespace OpenMD {
705      RealType vpair;
706      RealType dVdFQ1(0.0);
707      RealType dVdFQ2(0.0);
708 –    Vector3d eField1(0.0);
709 –    Vector3d eField2(0.0);
708      potVec longRangePotential(0.0);
709      potVec workPot(0.0);
710      potVec exPot(0.0);
711 +    Vector3d eField1(0.0);
712 +    Vector3d eField2(0.0);
713      vector<int>::iterator ia, jb;
714  
715      int loopStart, loopEnd;
# Line 760 | Line 760 | namespace OpenMD {
760  
761          d_grp  = fDecomp_->getIntergroupVector(cg1, cg2);
762  
763 <        curSnapshot->wrapVector(d_grp);        
763 >        // already wrapped in the getIntergroupVector call:
764 >        // curSnapshot->wrapVector(d_grp);        
765          rgrpsq = d_grp.lengthSquare();
766          rCutSq = cuts.second;
767  
# Line 918 | Line 919 | namespace OpenMD {
919          }
920        }
921      }
922 <  
922 >    
923      // collects pairwise information
924      fDecomp_->collectData();
925          

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