--- trunk/src/parallel/ForceDecomposition.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/parallel/ForceDecomposition.cpp 2013/08/19 13:51:04 1930 @@ -98,7 +98,8 @@ namespace OpenMD { void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) { - sdat.atype = atypesLocal[atom1]; + //sdat.atype = atypesLocal[atom1]; + sdat.atid = idents[atom1]; sdat.pot = &embeddingPot; sdat.excludedPot = &excludedSelfPot; @@ -140,7 +141,7 @@ namespace OpenMD { } if (storageLayout_ & DataStorage::dslFlucQForce) { - sdat.dVdFQ = &(snap_->atomData.flucQFrc[atom1]); + sdat.flucQfrc = &(snap_->atomData.flucQFrc[atom1]); } }