# | 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 |