| # | Line 464 | Line 464 | void SimSetup::makeMolecules(void){ | |
|---|---|---|
| 464 | // used for the exclude list: | |
| 465 | ||
| 466 | #ifdef IS_MPI | |
| 467 | < | exI = info[k].atoms[tempI]->getGlobalIndex() + 1; |
| 468 | < | exJ = info[k].atoms[tempJ]->getGlobalIndex() + 1; |
| 467 | > | exI = molInfo.myAtoms[tempI]->getGlobalIndex() + 1; |
| 468 | > | exJ = molInfo.myAtoms[tempJ]->getGlobalIndex() + 1; |
| 469 | #else | |
| 470 | < | exI = tempI + 1; |
| 471 | < | exJ = tempJ + 1; |
| 470 | > | exI = molInfo.myAtoms[tempI]->getIndex() + 1; |
| 471 | > | exJ = molInfo.myAtoms[tempJ]->getIndex() + 1; |
| 472 | #endif | |
| 473 | ||
| 474 | info[k].excludes->addPair(exI, exJ); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |