| # | Line 106 | Line 106 | namespace OpenMD { | |
|---|---|---|
| 106 | ||
| 107 | void DirectionalAtom::setA(const RotMat3x3d& a) { | |
| 108 | ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a; | |
| 109 | < | |
| 109 | > | |
| 110 | if (atomType_->isMultipole()) { | |
| 111 | RotMat3x3d atrans = a.transpose(); | |
| 112 | < | |
| 112 | > | |
| 113 | if (atomType_->isDipole()) { | |
| 114 | ((snapshotMan_->getCurrentSnapshot())->*storage_).dipole[localIndex_] = atrans * dipole_; | |
| 115 | } | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |