| # | Line 31 | Line 31 | contains | |
|---|---|---|
| 31 | return | |
| 32 | end subroutine initialize_dipole | |
| 33 | ||
| 34 | – | |
| 34 | subroutine do_dipole_pair(atom1, atom2, d, rij, r2, pot, u_l, f, t, & | |
| 35 | do_pot, do_stress) | |
| 36 | ||
| # | Line 84 | Line 83 | contains | |
| 83 | call getElementProperty(atypes, me1, "dipole_moment", mu1) | |
| 84 | call getElementProperty(atypes, me2, "dipole_moment", mu2) | |
| 85 | ||
| 87 | – | |
| 86 | if (rij.le.rrf) then | |
| 89 | – | |
| 87 | ||
| 91 | – | |
| 88 | if (rij.lt.rt) then | |
| 89 | taper = 1.0d0 | |
| 90 | dtdr = 0.0d0 | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |