# | Line 406 | Line 406 | contains | |
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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 |
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