--- trunk/src/parallel/ForceMatrixDecomposition.cpp 2013/08/19 13:51:04 1930 +++ trunk/src/parallel/ForceMatrixDecomposition.cpp 2013/08/19 19:20:32 1931 @@ -1179,9 +1179,12 @@ namespace OpenMD { idat.atid1 = identsRow[atom1]; idat.atid2 = identsCol[atom2]; - if (regionsRow[atom1] >= 0 && regionsCol[atom2] >= 0) + if (regionsRow[atom1] >= 0 && regionsCol[atom2] >= 0) { idat.sameRegion = (regionsRow[atom1] == regionsCol[atom2]); - + } else { + idat.sameRegion = false; + } + if (storageLayout_ & DataStorage::dslAmat) { idat.A1 = &(atomRowData.aMat[atom1]); idat.A2 = &(atomColData.aMat[atom2]); @@ -1238,8 +1241,11 @@ namespace OpenMD { idat.atid1 = idents[atom1]; idat.atid2 = idents[atom2]; - if (regions[atom1] >= 0 && regions[atom2] >= 0) + if (regions[atom1] >= 0 && regions[atom2] >= 0) { idat.sameRegion = (regions[atom1] == regions[atom2]); + } else { + idat.sameRegion = false; + } if (storageLayout_ & DataStorage::dslAmat) { idat.A1 = &(snap_->atomData.aMat[atom1]);