--- trunk/src/brains/ForceManager.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/brains/ForceManager.cpp 2013/06/19 17:19:07 1893 @@ -705,11 +705,11 @@ namespace OpenMD { RealType vpair; RealType dVdFQ1(0.0); RealType dVdFQ2(0.0); - Vector3d eField1(0.0); - Vector3d eField2(0.0); potVec longRangePotential(0.0); potVec workPot(0.0); potVec exPot(0.0); + Vector3d eField1(0.0); + Vector3d eField2(0.0); vector::iterator ia, jb; int loopStart, loopEnd; @@ -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; @@ -918,7 +919,7 @@ namespace OpenMD { } } } - + // collects pairwise information fDecomp_->collectData();