| # | Line 176 | Line 176 | contains | |
|---|---|---|
| 176 | t(3,atom2) = t(3,atom2) - ul2(1)*dudu2y + ul2(2)*dudu2x | |
| 177 | #endif | |
| 178 | ||
| 179 | + | if (do_stress) then |
| 180 | + | |
| 181 | #ifdef IS_MPI | |
| 182 | id1 = tagRow(atom1) | |
| 183 | id2 = tagColumn(atom2) | |
| 184 | #else | |
| 185 | id1 = atom1 | |
| 186 | id2 = atom2 | |
| 187 | < | #endif |
| 186 | < | if (do_stress) then |
| 187 | < | |
| 187 | > | #endif |
| 188 | if (molMembershipList(id1) .ne. molMembershipList(id2)) then | |
| 189 | ||
| 190 | ! because the d vector is the rj - ri vector, and | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |