| # | Line 98 | Line 98 | namespace OpenMD { | |
|---|---|---|
| 98 | ||
| 99 | void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) { | |
| 100 | ||
| 101 | < | sdat.atype = atypesLocal[atom1]; |
| 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 | ||
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| < | Changed lines |
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