--- trunk/OOPSE/libmdtools/calc_dipole_dipole.F90 2003/04/04 19:57:01 459 +++ trunk/OOPSE/libmdtools/calc_dipole_dipole.F90 2003/04/04 22:22:30 460 @@ -4,6 +4,7 @@ module dipole_dipole use definitions use atype_module use vector_class + use simulation #ifdef IS_MPI use mpiSimulation #endif @@ -31,12 +32,11 @@ contains end subroutine initialize_dipole - subroutine do_dipole_pair(natoms, atom1, atom2, d, rij, r2, pot, u_l, f, t, & + subroutine do_dipole_pair(atom1, atom2, d, rij, r2, pot, u_l, f, t, & do_pot, do_stress) logical :: do_pot, do_stress - integer :: natoms integer atom1, atom2, me1, me2 real(kind=dp) :: rij, mu1, mu2 real(kind=dp) :: dfact1, dfact2, dip2, r2, r3, r5, pre @@ -46,9 +46,9 @@ contains real( kind = dp ) :: pot real( kind = dp ), dimension(3) :: d - real( kind = dp ), dimension(:,:) :: u_l - real( kind = dp ), dimension(:,:) :: f - real( kind = dp ), dimension(:,:) :: t + real( kind = dp ), dimension(3,getNlocal()) :: u_l + real( kind = dp ), dimension(3,getNlocal()) :: f + real( kind = dp ), dimension(3,getNlocal()) :: t real (kind = dp), dimension(3) :: ul1 real (kind = dp), dimension(3) :: ul2