# | Line 31 | Line 31 | void ForceFields::doForces( int calcPot, int calcStres | |
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31 | entry_plug->atoms[i]->zeroForces(); | |
32 | } | |
33 | ||
34 | + | for(i=0; i<entry_plug->n_SRI; i++ ){ |
35 | + | entry_plug->sr_interactions[i]->calc_forces(); |
36 | + | } |
37 | + | |
38 | frc = Atom::getFrcArray(); | |
39 | pos = Atom::getPosArray(); | |
40 | trq = Atom::getTrqArray(); | |
# | Line 41 | Line 45 | void ForceFields::doForces( int calcPot, int calcStres | |
45 | ||
46 | isError = 0; | |
47 | entry_plug->lrPot = 0.0; | |
48 | + | |
49 | + | |
50 | fortranForceLoop( pos, | |
51 | A, | |
52 | u_l, |
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