--- trunk/OOPSE/libmdtools/simulation_module.F90 2003/03/28 19:33:37 435 +++ trunk/OOPSE/libmdtools/simulation_module.F90 2003/04/04 22:22:30 460 @@ -6,7 +6,6 @@ module simulation use force_globals use vector_class use atype_module - use lj #ifdef IS_MPI use mpiSimulation #endif @@ -196,12 +195,6 @@ contains thisSim%box = new_box_size box = thisSim%box - smallest = 1 - do i = 2, 3 - if (new_box_size(i) .lt. new_box_size(smallest)) smallest = i - end do - if (thisSim%rcut .gt. 0.5_dp * new_box_size(smallest)) & - call setRcut(0.5_dp * new_box_size(smallest), status) return end subroutine setBox_3d @@ -210,8 +203,6 @@ contains real(kind=dp) :: new_box_size thisSim%box(dim) = new_box_size box(dim) = thisSim%box(dim) - if (thisSim%rcut .gt. 0.5_dp * new_box_size) & - call setRcut(0.5_dp * new_box_size, status) end subroutine setBox_1d subroutine setRcut(new_rcut, status) @@ -220,13 +211,6 @@ contains thisSim%rcut = new_rcut rcut2 = thisSim%rcut * thisSim%rcut rcut6 = rcut2 * rcut2 * rcut2 - myStatus = 0 - call LJ_new_rcut(new_rcut, myStatus) - if (myStatus .ne. 0) then - write(default_error, *) 'LJ module refused our rcut!' - status = -1 - return - endif status = 0 return end subroutine setRcut