--- trunk/src/parallel/ForceDecomposition.cpp 2013/07/01 21:09:37 1895 +++ trunk/src/parallel/ForceDecomposition.cpp 2013/08/19 13:51:04 1930 @@ -98,7 +98,7 @@ namespace OpenMD { void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) { - sdat.atype = atypesLocal[atom1]; + //sdat.atype = atypesLocal[atom1]; sdat.atid = idents[atom1]; sdat.pot = &embeddingPot; @@ -141,7 +141,7 @@ namespace OpenMD { } if (storageLayout_ & DataStorage::dslFlucQForce) { - sdat.dVdFQ = &(snap_->atomData.flucQFrc[atom1]); + sdat.flucQfrc = &(snap_->atomData.flucQFrc[atom1]); } }