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root/OpenMD/branches/development/src/nonbonded/GB.cpp
(Generate patch)

Comparing branches/development/src/nonbonded/GB.cpp (file contents):
Revision 1571 by gezelter, Fri May 27 16:45:44 2011 UTC vs.
Revision 1582 by gezelter, Tue Jun 14 20:41:44 2011 UTC

# Line 359 | Line 359 | namespace OpenMD {
359      Vector3d rxu2 = cross(*(idat.d), ul2);
360      Vector3d uxu = cross(ul1, ul2);
361      
362 <    idat.pot[VANDERWAALS_FAMILY] += U *  *(idat.sw);
362 >    (*(idat.pot))[VANDERWAALS_FAMILY] += U *  *(idat.sw);
363      *(idat.f1) += dUdr * rhat + dUda * ul1 + dUdb * ul2;    
364      *(idat.t1) += dUda * rxu1 - dUdg * uxu;
365      *(idat.t2) += dUdb * rxu2 - dUdg * uxu;

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