--- trunk/mdtools/md_code/lj_FF.F90 2003/01/09 21:31:16 231 +++ trunk/mdtools/md_code/lj_FF.F90 2003/01/10 17:27:28 232 @@ -35,7 +35,7 @@ module lj_ff end type lj_atype !! Pointer type for atype ident array - type :: lj_atypePtr + type, public :: lj_atypePtr type (lj_atype), pointer :: this => null() end type lj_atypePtr @@ -292,7 +292,7 @@ contains real ( kind = dp ), dimension(ndim,) :: q real ( kind = dp ), dimension(ndim,nLRparticles) :: f real ( kind = dp ) :: potE - + logical :: do_pot #ifdef MPI real( kind = DP ), dimension(3,ncol) :: efr real( kind = DP ) :: pot_local @@ -302,8 +302,8 @@ contains real( kind = DP ) :: pe logical, :: update_nlist - logical :: do_pot + integer :: i, j, jbeg, jend, jnab, idim, jdim, idim2, jdim2, dim, dim2 integer :: nlist integer :: j_start @@ -325,9 +325,6 @@ contains call check(update_nlist) - do_pot = .false. - if (present(pe)) do_pot = .true. - #ifndef IS_MPI nloops = nloops + 1 pot = 0.0E0_DP @@ -549,7 +546,7 @@ contains if (do_pot) then ! scatter/gather pot_row into the members of my column - call scatter(e_row,e_tmp,plan_row) + call scatter(e_row,e_tmp,plan_row) ! scatter/gather pot_local into all other procs ! add resultant to get total pot