| # | Line 349 | Line 349 | void OOPSEMinimizerBase::shakeR(){ | |
|---|---|---|
| 349 | a = atoms[a]->getGlobalIndex(); | |
| 350 | b = atoms[b]->getGlobalIndex(); | |
| 351 | #endif //is_mpi | |
| 352 | < | //cerr << "Waring: constraint failure" << endl; |
| 352 | > | cerr << "Waring: constraint failure" << endl; |
| 353 | gab = sqrt(rabsq/pabsq); | |
| 354 | rab[0] = (posA[0] - posB[0])*gab; | |
| 355 | rab[1]= (posA[1] - posB[1])*gab; | |
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