| # | Line 290 | Line 290 | namespace OpenMD { | |
|---|---|---|
| 290 | ||
| 291 | for (unsigned int i = 0; i < atoms_.size(); i++) { | |
| 292 | ||
| 293 | + | atype = atoms_[i]->getAtomType(); |
| 294 | + | |
| 295 | afrc = atoms_[i]->getFrc(); | |
| 296 | apos = atoms_[i]->getPos(); | |
| 297 | rpos = apos - pos; | |
| # | Line 307 | Line 309 | namespace OpenMD { | |
| 309 | atrq = atoms_[i]->getTrq(); | |
| 310 | trq += atrq; | |
| 311 | } | |
| 312 | + | |
| 313 | if ((sl & DataStorage::dslElectricField) && (atype->isElectrostatic())) { | |
| 314 | ef += atoms_[i]->getElectricField(); | |
| 315 | eCount++; | |
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