# | Line 31 | Line 31 | contains | |
---|---|---|
31 | end subroutine initialize_dipole | |
32 | ||
33 | ||
34 | < | subroutine do_dipole_pair(atom1, atom2, d, rij, r2, pot, u_l, f, t, & |
34 | > | subroutine do_dipole_pair(natoms, atom1, atom2, d, rij, r2, pot, u_l, f, t, & |
35 | do_pot, do_stress) | |
36 | ||
37 | logical :: do_pot, do_stress | |
38 | ||
39 | + | integer :: natoms |
40 | integer atom1, atom2, me1, me2 | |
41 | real(kind=dp) :: rij, mu1, mu2 | |
42 | real(kind=dp) :: dfact1, dfact2, dip2, r2, r3, r5, pre |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |