# | Line 1 | Line 1 | |
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1 | + | #include <iostream> |
2 | + | |
3 | + | using namespace std; |
4 | + | |
5 | + | |
6 | #include <cstdlib> | |
7 | ||
8 | #ifdef IS_MPI | |
# | Line 62 | Line 67 | void ForceFields::doForces( int calcPot, int calcStres | |
67 | trq = Atom::getTrqArray(); | |
68 | A = Atom::getAmatArray(); | |
69 | u_l = Atom::getUlArray(); | |
70 | < | |
70 | > | |
71 | isError = 0; | |
72 | entry_plug->lrPot = 0.0; | |
73 |
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