| # | Line 406 | Line 406 | contains | |
|---|---|---|
| 406 | ||
| 407 | if (do_pot) then | |
| 408 | #ifdef IS_MPI | |
| 409 | < | pot_row(atom1) = pot_row(atom1) + 2.0d0*eps*R126*sw |
| 410 | < | pot_col(atom2) = pot_col(atom2) + 2.0d0*eps*R126*sw |
| 409 | > | pot_row(GAYBERNE_POT,atom1) = pot_row(GAYBERNE_POT,atom1) + 2.0d0*eps*R126*sw |
| 410 | > | pot_col(GAYBERNE_POT,atom2) = pot_col(GAYBERNE_POT,atom2) + 2.0d0*eps*R126*sw |
| 411 | #else | |
| 412 | pot = pot + 4.0*eps*R126*sw | |
| 413 | #endif | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |