| # | Line 62 | Line 62 | void ForceFields::doForces( int calcPot, int calcStres | |
|---|---|---|
| 62 | entry_plug->molecules[i].calcForces(); | |
| 63 | } | |
| 64 | ||
| 65 | + | |
| 66 | + | |
| 67 | frc = Atom::getFrcArray(); | |
| 68 | pos = Atom::getPosArray(); | |
| 69 | trq = Atom::getTrqArray(); | |
| # | Line 98 | Line 100 | void ForceFields::doForces( int calcPot, int calcStres | |
| 100 | "returned from the force calculation.\n" ); | |
| 101 | MPIcheckPoint(); | |
| 102 | #endif // is_mpi | |
| 103 | + | |
| 104 | ||
| 105 | } | |
| 106 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |