this is essentially a submodule of dl_mg_nonlinear_model which handles the computation of neutralisation ratios. More details are in Details of concentration shifts computation . More...

Functions/Subroutines
subroutine, public	init_counterion_neutralisation (ntrl_ratios, ierr)

subroutine, public	compute_shifted_ion_concentrations (ierr)

pure real(wp) function	func (x, emu, imin)

pure real(wp) function	der_func (x, emu, imin)

subroutine, public	free_neutralisation
	free module arrays More...

Variables
real(wp), parameter	chrg_tol =1.e-14

real(wp), save	nwt_tol_res = 1.e-3
	Parameters for the Newton solution of Eq 15 from Bhandari2020. More...

real(wp), save	nwt_tol_err_rel = 1.e-3

real(wp), save	nwt_tol_err_abs = 1.e-3

real(wp), save	nwt_min_jac = 1.e-8

logical, save	nwt_start_from_lin_approx = .true.

real(wp), save	nwt_start_x

logical, save	use_linear_approx = .false.

logical, save	use_qint = .false.

logical, save	debug_print = .false.

real(wp), dimension(:), allocatable, save, public	counterion_ratios
	the algoritm does not need this array to be shared but it is useful for returning the ratios at the end of calculation More...

integer, dimension(:), allocatable, save	qi
	integer ion charges set up when use_qint is true More...

logical, save	use_quadratic_eq = .true.
	Use quadratic solution for nion=2 and q(1)+q(2)=0. More...

real(wp), save	cqs

Detailed Description

this is essentially a submodule of dl_mg_nonlinear_model which handles the computation of neutralisation ratios. More details are in Details of concentration shifts computation .

Todo:: Add a debug print switch that enables printing Newton solver iteration details.

Function/Subroutine Documentation

◆ compute_shifted_ion_concentrations()

subroutine, public dl_mg_neutralisation_with_ions::compute_shifted_ion_concentrations ( integer, intent(inout), optional ierr )

◆ der_func()

pure real(wp) function dl_mg_neutralisation_with_ions::der_func	(	real(wp), intent(in)	x,
		real(wp), dimension(:), intent(in)	emu,
		integer, intent(in)	imin
	)

◆ free_neutralisation()

subroutine, public dl_mg_neutralisation_with_ions::free_neutralisation

free module arrays

◆ func()

pure real(wp) function dl_mg_neutralisation_with_ions::func	(	real(wp), intent(in)	x,
		real(wp), dimension(:), intent(in)	emu,
		integer, intent(in)	imin
	)

private

◆ init_counterion_neutralisation()

subroutine, public dl_mg_neutralisation_with_ions::init_counterion_neutralisation	(	real(wp), dimension(:), intent(in), optional	ntrl_ratios,
		integer, intent(inout), optional	ierr
	)

Variable Documentation

◆ chrg_tol

real(wp), parameter dl_mg_neutralisation_with_ions::chrg_tol =1.e-14

◆ counterion_ratios

real(wp), dimension(:), allocatable, save, public dl_mg_neutralisation_with_ions::counterion_ratios

the algoritm does not need this array to be shared but it is useful for returning the ratios at the end of calculation

◆ cqs

real(wp), save dl_mg_neutralisation_with_ions::cqs

◆ debug_print

logical, save dl_mg_neutralisation_with_ions::debug_print = .false.

◆ nwt_min_jac

real(wp), save dl_mg_neutralisation_with_ions::nwt_min_jac = 1.e-8

◆ nwt_start_from_lin_approx

logical, save dl_mg_neutralisation_with_ions::nwt_start_from_lin_approx = .true.

◆ nwt_start_x

real(wp), save dl_mg_neutralisation_with_ions::nwt_start_x

◆ nwt_tol_err_abs

real(wp), save dl_mg_neutralisation_with_ions::nwt_tol_err_abs = 1.e-3

◆ nwt_tol_err_rel

real(wp), save dl_mg_neutralisation_with_ions::nwt_tol_err_rel = 1.e-3

◆ nwt_tol_res

real(wp), save dl_mg_neutralisation_with_ions::nwt_tol_res = 1.e-3

Parameters for the Newton solution of Eq 15 from Bhandari2020.

◆ qi

integer, dimension(:), allocatable, save dl_mg_neutralisation_with_ions::qi

integer ion charges set up when use_qint is true

◆ use_linear_approx

logical, save dl_mg_neutralisation_with_ions::use_linear_approx = .false.

◆ use_qint

logical, save dl_mg_neutralisation_with_ions::use_qint = .false.

◆ use_quadratic_eq

logical, save dl_mg_neutralisation_with_ions::use_quadratic_eq = .true.

Use quadratic solution for nion=2 and q(1)+q(2)=0.

Functions/Subroutines

Variables