| # | Line 51 | Line 51 | namespace OpenMD { | |
|---|---|---|
| 51 | sman_ = info_->getSnapshotManager(); | |
| 52 | storageLayout_ = sman_->getStorageLayout(); | |
| 53 | ff_ = info_->getForceField(); | |
| 54 | + | userChoseCutoff_ = false; |
| 55 | ||
| 56 | Globals* simParams_ = info_->getSimParams(); | |
| 57 | ||
| # | Line 109 | Line 110 | namespace OpenMD { | |
| 110 | sdat.dfrhodrho = &(snap_->atomData.functionalDerivative[atom1]); | |
| 111 | } | |
| 112 | ||
| 113 | + | if (storageLayout_ & DataStorage::dslParticlePot) { |
| 114 | + | sdat.particlePot = &(snap_->atomData.particlePot[atom1]); |
| 115 | + | } |
| 116 | + | |
| 117 | return sdat; | |
| 118 | } | |
| 119 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |