# | Line 408 | Line 408 | contains | |
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408 | ||
409 | if (do_pot) then | |
410 | #ifdef IS_MPI | |
411 | < | pot_row(GAYBERNE_POT,atom1) = pot_row(GAYBERNE_POT,atom1) + 2.0d0*eps*R126*sw |
412 | < | pot_col(GAYBERNE_POT,atom2) = pot_col(GAYBERNE_POT,atom2) + 2.0d0*eps*R126*sw |
411 | > | pot_row(VDW_POT,atom1) = pot_row(VDW_POT,atom1) + 2.0d0*eps*R126*sw |
412 | > | pot_col(VDW_POT,atom2) = pot_col(VDW_POT,atom2) + 2.0d0*eps*R126*sw |
413 | #else | |
414 | pot = pot + 4.0*eps*R126*sw | |
415 | #endif |
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