--- branches/development/src/parallel/ForceMatrixDecomposition.cpp 2012/03/14 17:56:01 1688 +++ branches/development/src/parallel/ForceMatrixDecomposition.cpp 2012/04/27 20:44:16 1706 @@ -537,19 +537,21 @@ namespace OpenMD { fill(snap_->atomData.density.begin(), snap_->atomData.density.end(), 0.0); } + if (storageLayout_ & DataStorage::dslFunctional) { fill(snap_->atomData.functional.begin(), snap_->atomData.functional.end(), 0.0); } + if (storageLayout_ & DataStorage::dslFunctionalDerivative) { fill(snap_->atomData.functionalDerivative.begin(), snap_->atomData.functionalDerivative.end(), 0.0); } + if (storageLayout_ & DataStorage::dslSkippedCharge) { fill(snap_->atomData.skippedCharge.begin(), snap_->atomData.skippedCharge.end(), 0.0); } - }