--- trunk/OOPSE/libmdtools/calc_eam.F90 2003/04/14 18:19:15 492 +++ trunk/OOPSE/libmdtools/calc_eam.F90 2003/04/14 21:16:37 497 @@ -4,10 +4,16 @@ module calc_eam #ifdef MPI use mpiSimulation #endif + PRIVATE + logical, save :: EAM_FF_initialized = .false. + integer, save :: EAM_Mixing_Policy + integer, save :: EAM_rcut + + !! standard eam stuff integer :: n_eam_atypes integer, allocatable, dimension(:) :: eam_atype @@ -30,17 +36,14 @@ module calc_eam real( kind = DP ), allocatable, dimension(:,:) :: eam_phi_r_pp - real( kind = DP ), private :: time0,time1,time2,time3 - - integer, private :: eam_err + public :: init_EAM_FF + public :: EAM_new_rcut + public :: do_EAM_pair - private :: mass_weight - private :: allocate_eam_atype,allocate_eam_module,deallocate_eam_module - private :: read_eam_pot, get_eam_sizes contains - subroutine initialize_eam() + subroutine init_EAM_FF()