| # | Line 815 | Line 815 | contains | |
|---|---|---|
| 815 | #endif | |
| 816 | ||
| 817 | vpair = vpair + phab | |
| 818 | < | fpair(1) = fpair(1) + fx |
| 819 | < | fpair(2) = fpair(2) + fy |
| 820 | < | fpair(3) = fpair(3) + fz |
| 821 | < | |
| 818 | > | #ifdef IS_MPI |
| 819 | > | id1 = tagRow(atom1) |
| 820 | > | id2 = tagColumn(atom2) |
| 821 | > | #else |
| 822 | > | id1 = atom1 |
| 823 | > | id2 = atom2 |
| 824 | > | #endif |
| 825 | > | |
| 826 | > | if (molMembershipList(id1) .ne. molMembershipList(id2)) then |
| 827 | > | |
| 828 | > | fpair(1) = fpair(1) + fx |
| 829 | > | fpair(2) = fpair(2) + fy |
| 830 | > | fpair(3) = fpair(3) + fz |
| 831 | > | |
| 832 | > | endif |
| 833 | > | |
| 834 | if (nmflag) then | |
| 835 | ||
| 836 | drhoidr = drha | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |