--- branches/development/src/parallel/ForceDecomposition.cpp 2011/06/14 20:41:44 1582 +++ branches/development/src/parallel/ForceDecomposition.cpp 2011/06/16 22:00:08 1583 @@ -88,8 +88,10 @@ namespace OpenMD { } void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) { - - // Still Missing atype, skippedCharge, potVec pot, + + sdat.atype = ff_->getAtomType(idents[atom1]); + + // Still Missing skippedCharge if (storageLayout_ & DataStorage::dslElectroFrame) { sdat.eFrame = &(snap_->atomData.electroFrame[atom1]); } @@ -147,6 +149,8 @@ namespace OpenMD { if (dispmax > skinThickness_) { cerr << "build because movement\n"; return (dispmax > skinThickness_); + } else { + cerr << "not rebuilding\n"; } return false; }