| # | Line 75 | Line 75 | void NPTi::moveA() { | |
|---|---|---|
| 75 | ||
| 76 | for (j = 0; j < 3; j++) | |
| 77 | pos[j] += dt * (vel[j] + eta*rj[j]); | |
| 78 | – | |
| 78 | ||
| 79 | atoms[i]->setPos( pos ); | |
| 80 | ||
| 82 | – | |
| 81 | if( atoms[i]->isDirectional() ){ | |
| 82 | ||
| 83 | dAtom = (DirectionalAtom *)atoms[i]; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |