calculate_association Function

private function calculate_association(n, V, T, zeta, d, m, eps_assoc, kap_assoc, n_sites) result(val)

Arguments

Type IntentOptional Attributes Name
type(hyperdual), intent(in) :: n(:)
type(hyperdual), intent(in) :: V
type(hyperdual), intent(in) :: T
type(hyperdual), intent(in) :: zeta(0:3)
type(hyperdual), intent(in) :: d(:)
real(kind=pr), intent(in) :: m(:)
real(kind=pr), intent(in) :: eps_assoc(:)
real(kind=pr), intent(in) :: kap_assoc(:)
real(kind=pr), intent(in) :: n_sites(:)

Return Value type(hyperdual)


Called by

proc~~calculate_association~~CalledByGraph proc~calculate_association calculate_association proc~ar_impl PcSaft%Ar_impl proc~ar_impl->proc~calculate_association

Variables

Type Visibility Attributes Name Initial
real(kind=pr), private, parameter :: ALPHA = 0.5_pr
type(hyperdual), private :: XA(size(n))
type(hyperdual), private :: XA_new_calc(size(n))
type(hyperdual), private :: d_ij
type(hyperdual), private :: delta(size(n),size(n))
type(hyperdual), private :: delta_ij
type(hyperdual), private :: di_dj_term
type(hyperdual), private :: eps_mix
type(hyperdual), private :: g_ij
integer, private :: i
integer, private :: iter
integer, private :: j
type(hyperdual), private :: kap_mix
type(hyperdual), private :: rho_num
type(hyperdual), private :: sum_term