| # | Line 372 | Line 372 | namespace OpenMD { | |
|---|---|---|
| 372 | pCount++; | |
| 373 | } | |
| 374 | ||
| 375 | < | MultipoleAdapter ma = MultipoleAdapter(atom->getAtomType()); |
| 376 | < | if (ma.isDipole() ) { |
| 377 | < | Vector3d u_i = atom->getElectroFrame().getColumn(2); |
| 378 | < | moment = ma.getDipoleMoment(); |
| 379 | < | moment *= debyeToCm; |
| 380 | < | dipoleVector += u_i * moment; |
| 375 | > | if (atom->isDipole()) { |
| 376 | > | dipoleVector += atom->getDipole() * debyeToCm; |
| 377 | } | |
| 378 | } | |
| 379 | } | |
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