--- trunk/src/brains/ForceManager.cpp 2013/06/17 18:28:30 1880 +++ trunk/src/brains/ForceManager.cpp 2013/07/01 21:09:37 1895 @@ -713,7 +713,7 @@ namespace OpenMD { vector::iterator ia, jb; int loopStart, loopEnd; - + idat.vdwMult = &vdwMult; idat.electroMult = &electroMult; idat.pot = &workPot; @@ -746,12 +746,12 @@ namespace OpenMD { if (update_nlist) { if (!usePeriodicBoundaryConditions_) Mat3x3d bbox = thermo->getBoundingBox(); - neighborList = fDecomp_->buildNeighborList(); + fDecomp_->buildNeighborList(neighborList_); } } - for (vector >::iterator it = neighborList.begin(); - it != neighborList.end(); ++it) { + for (vector >::iterator it = neighborList_.begin(); + it != neighborList_.end(); ++it) { cg1 = (*it).first; cg2 = (*it).second; @@ -760,7 +760,8 @@ namespace OpenMD { 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;