| # | Line 89 | Line 89 | namespace OpenMD { | |
|---|---|---|
| 89 | ||
| 90 | void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) { | |
| 91 | ||
| 92 | < | sdat.atype = ff_->getAtomType(idents[atom1]); |
| 93 | < | |
| 94 | < | // Still Missing skippedCharge |
| 92 | > | sdat.atype = atypesLocal[atom1]; |
| 93 | > | |
| 94 | > | sdat.pot = &embeddingPot; |
| 95 | > | |
| 96 | if (storageLayout_ & DataStorage::dslElectroFrame) { | |
| 97 | sdat.eFrame = &(snap_->atomData.electroFrame[atom1]); | |
| 98 | } | |
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| + | Added lines |
| < | Changed lines |
| > | Changed lines |