| # | Line 99 | Line 99 | namespace OpenMD { | |
|---|---|---|
| 99 | void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) { | |
| 100 | ||
| 101 | sdat.atype = atypesLocal[atom1]; | |
| 102 | + | sdat.atid = idents[atom1]; |
| 103 | ||
| 104 | sdat.pot = &embeddingPot; | |
| 105 | sdat.excludedPot = &excludedSelfPot; | |
| # | Line 140 | Line 141 | namespace OpenMD { | |
| 141 | } | |
| 142 | ||
| 143 | if (storageLayout_ & DataStorage::dslFlucQForce) { | |
| 144 | < | sdat.dVdFQ = &(snap_->atomData.flucQFrc[atom1]); |
| 144 | > | sdat.flucQfrc = &(snap_->atomData.flucQFrc[atom1]); |
| 145 | } | |
| 146 | } | |
| 147 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |