| # | Line 325 | Line 325 | namespace oopse { | |
|---|---|---|
| 325 | ||
| 326 | fdf = 0; | |
| 327 | for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) { | |
| 328 | < | |
| 328 | > | |
| 329 | > | doLangevinForces = true; |
| 330 | > | freezeMolecule = false; |
| 331 | > | |
| 332 | if (sphericalBoundaryConditions_) { | |
| 333 | ||
| 334 | Vector3d molPos = mol->getCom(); | |
| 335 | RealType molRad = molPos.length(); | |
| 336 | ||
| 337 | doLangevinForces = false; | |
| 335 | – | freezeMolecule = false; |
| 338 | ||
| 339 | if (molRad > langevinBufferRadius_) { | |
| 340 | doLangevinForces = true; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |