| # | Line 223 | Line 223 | namespace OpenMD { | |
|---|---|---|
| 223 | RealType rabsq = consPair->getConsDistSquare(); | |
| 224 | RealType diffsq = rabsq - pabsq; | |
| 225 | ||
| 226 | + | |
| 227 | // the original rattle code from alan tidesley | |
| 228 | if (fabs(diffsq) > (consTolerance_ * rabsq * 2)){ | |
| 229 | ||
| 230 | Vector3d oldPosA = consElem1->getPrevPos(); | |
| 231 | Vector3d oldPosB = consElem2->getPrevPos(); | |
| 232 | ||
| 233 | < | Vector3d rab = oldPosA - oldPosB; |
| 233 | > | Vector3d rab = oldPosA - oldPosB; |
| 234 | ||
| 235 | currentSnapshot_->wrapVector(rab); | |
| 236 | ||
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