--- branches/development/src/parallel/ForceDecomposition.cpp 2011/05/29 01:49:17 1572 +++ branches/development/src/parallel/ForceDecomposition.cpp 2011/06/08 16:05:07 1576 @@ -51,6 +51,7 @@ namespace OpenMD { sman_ = info_->getSnapshotManager(); storageLayout_ = sman_->getStorageLayout(); ff_ = info_->getForceField(); + userChoseCutoff_ = false; Globals* simParams_ = info_->getSimParams(); @@ -109,6 +110,10 @@ namespace OpenMD { sdat.dfrhodrho = &(snap_->atomData.functionalDerivative[atom1]); } + if (storageLayout_ & DataStorage::dslParticlePot) { + sdat.particlePot = &(snap_->atomData.particlePot[atom1]); + } + return sdat; }