# | Line 12 | Line 12 | module dipole_dipole | |
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12 | contains | |
13 | ||
14 | subroutine do_dipole_pair(atom1, atom2, atype1, atype2, dx, dy, dz, rij, & | |
15 | < | rt, rrf, pot, u_l, f, t) |
15 | > | pot, u_l, f, t) |
16 | ||
17 | integer atom1, atom2 | |
18 | double precision dx, dy, dz, rij | |
# | Line 49 | Line 49 | module dipole_dipole | |
49 | ul1(3) = u_l(3,atom2) | |
50 | #endif | |
51 | ||
52 | + | rrf = getRrf() |
53 | + | rt = getRt() |
54 | + | |
55 | ! pre converts from mu in units of debye to kcal/mol | |
56 | pre = 14.38362d0 | |
57 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |