--- trunk/OOPSE/libmdtools/atype_module.F90 2003/03/21 17:42:12 378 +++ trunk/OOPSE/libmdtools/atype_module.F90 2003/04/05 02:56:27 462 @@ -3,8 +3,6 @@ module atype_module module atype_module use definitions, only: dp use vector_class - use sticky_pair - use gb_pair implicit none private @@ -16,19 +14,11 @@ contains contains subroutine new_atype(c_ident, is_LJ, is_Sticky, is_DP, is_GB, & - lj_epsilon, lj_sigma, & - dipole_moment, & - sticky_w0, sticky_v0, & - GB_sigma, GB_l2b_ratio, GB_eps, GB_eps_ratio, GB_mu, GB_nu, & - status) + lj_epsilon, lj_sigma, dipole_moment, status) real( kind = dp ), intent(in) :: lj_epsilon real( kind = dp ), intent(in) :: lj_sigma - real( kind = dp ), intent(in) :: sticky_w0 - real( kind = dp ), intent(in) :: sticky_v0 real( kind = dp ), intent(in) :: dipole_moment - real( kind = dp ), intent(in) :: GB_sigma, GB_l2b_ratio, GB_eps - real( kind = dp ), intent(in) :: GB_eps_ratio, GB_mu, GB_nu integer, intent(in) :: c_ident integer, intent(out) :: status @@ -71,23 +61,6 @@ contains if (l_is_DP) then call setElementProperty(atypes, me, "dipole_moment", dipole_moment) endif - if (l_is_Sticky) then - call setElementProperty(atypes, me, "sticky_w0", sticky_w0) - call setElementProperty(atypes, me, "sticky_v0", sticky_v0) - call check_sticky_FF(FFcheckStatus) - if (FFcheckStatus .ne. 0) call set_sticky_params(sticky_w0, sticky_v0) - endif - if (l_is_GB) then - call setElementProperty(atypes, me, "GB_sigma", GB_sigma) - call setElementProperty(atypes, me, "GB_l2b_ratio", GB_l2b_ratio) - call setElementProperty(atypes, me, "GB_eps", GB_eps) - call setElementProperty(atypes, me, "GB_eps_ratio", GB_eps_ratio) - call setElementProperty(atypes, me, "GB_mu", GB_mu) - call setElementProperty(atypes, me, "GB_nu", GB_nu) - call check_gb_pair_FF(FFcheckStatus) - if (FFcheckStatus .ne. 0) call set_gb_pair_params(GB_sigma, GB_l2b_ratio, & - GB_eps, GB_eps_ratio, GB_mu, GB_nu) - endif end subroutine new_atype