--- trunk/src/brains/ForceManager.cpp 2012/10/22 20:42:10 1808 +++ trunk/src/brains/ForceManager.cpp 2012/11/05 19:41:28 1809 @@ -818,10 +818,13 @@ namespace OpenMD { fij += fg; if (atomListRow.size() == 1 && atomListColumn.size() == 1) { - stressTensor -= outProduct( *(idat.d), fg); - if (doHeatFlux_) - fDecomp_->addToHeatFlux(*(idat.d) * dot(fg, vel2)); - + if (!fDecomp_->skipAtomPair(atomListRow[0], + atomListColumn[0], + cg1, cg2)) { + stressTensor -= outProduct( *(idat.d), fg); + if (doHeatFlux_) + fDecomp_->addToHeatFlux(*(idat.d) * dot(fg, vel2)); + } } for (ia = atomListRow.begin();