# | Line 62 | Line 62 | void ForceFields::doForces( int calcPot, int calcStres | |
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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 |
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