vdw_lj Subroutine

public pure subroutine vdw_lj(r, specs, enrg, ierr)

Calculates energy for LJ interaction. params(1) = eps, params(2) = sigma, params(3) = rcut cache(1) = sigma**2, cache(2) = U(rcut)

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(in) :: r
type(ia_specs_t), intent(in) :: specs
real(kind=rp), intent(out) :: enrg
integer, intent(out) :: ierr

Called by

proc~~vdw_lj~~CalledByGraph proc~vdw_lj vdw_lj proc~ia_get_vdw_energy ia_get_vdw_energy proc~ia_get_vdw_energy->proc~vdw_lj proc~ia_calc_atm_vdw_energy ia_calc_atm_vdw_energy proc~ia_calc_atm_vdw_energy->proc~ia_get_vdw_energy proc~ia_calc_atm_vdw_energy_vl ia_calc_atm_vdw_energy_vl proc~ia_calc_atm_vdw_energy_vl->proc~ia_get_vdw_energy proc~ia_calc_vdw_energy ia_calc_vdw_energy proc~ia_calc_vdw_energy->proc~ia_get_vdw_energy proc~ia_calc_vdw_energy_vl ia_calc_vdw_energy_vl proc~ia_calc_vdw_energy_vl->proc~ia_get_vdw_energy proc~ia_calc_energy ia_calc_energy proc~ia_calc_energy->proc~ia_calc_vdw_energy proc~ia_calc_energy->proc~ia_calc_vdw_energy_vl proc~mcm_crnk mcm_crnk proc~mcm_crnk->proc~ia_calc_atm_vdw_energy proc~mcm_crnk->proc~ia_calc_atm_vdw_energy_vl proc~mcm_dbl_pivot mcm_dbl_pivot proc~mcm_dbl_pivot->proc~ia_calc_vdw_energy proc~mcm_dspl mcm_dspl proc~mcm_dspl->proc~ia_calc_atm_vdw_energy proc~mcm_dspl->proc~ia_calc_atm_vdw_energy_vl proc~mcm_pivot mcm_pivot proc~mcm_pivot->proc~ia_calc_vdw_energy proc~mcm_res_pivot mcm_res_pivot proc~mcm_res_pivot->proc~ia_calc_vdw_energy proc~mcm_sc_crnk mcm_sc_crnk proc~mcm_sc_crnk->proc~ia_calc_atm_vdw_energy proc~mcm_sc_crnk->proc~ia_calc_atm_vdw_energy_vl proc~mcm_sc_pivot mcm_sc_pivot proc~mcm_sc_pivot->proc~ia_calc_vdw_energy proc~mcs_run mcs_run proc~mcs_run->proc~ia_calc_energy proc~mcs_run->proc~mcm_crnk proc~mcs_run->proc~mcm_dbl_pivot proc~mcs_run->proc~mcm_dspl proc~mcs_run->proc~mcm_pivot proc~mcs_run->proc~mcm_res_pivot proc~mcs_run->proc~mcm_sc_crnk proc~mcs_run->proc~mcm_sc_pivot program~main main program~main->proc~mcs_run