usatch.f90 File Reference

Routines for user defined atmospheric chemical scheme. More...

Functions/Subroutines
subroutine	kinetic (nr, rk, temp, xlw, press, azi, att, option_photolysis)
	kinetic More...
subroutine	fexchem (ns, nr, y, rk, zcsourc, convers_factor, chem)
	fexchem More...
subroutine	jacdchemdc (ns, nr, y, convers_factor, convers_factor_jac, rk, jacc)
	jacdchemdc More...
subroutine	rates (ns, nr, rk, y, w)
	rates More...
subroutine	dratedc (ns, nr, rk, y, dw)
	dratedc More...
subroutine	lu_decompose (ns, m)
	lu_decompose More...
subroutine	lu_solve (ns, m, x)
	lu_solve More...

Detailed Description

Routines for user defined atmospheric chemical scheme.

Remarks

These routines should be generated by SPACK See CEREA: http://cerea.enpc.fr/polyphemus

Function/Subroutine Documentation

dratedc()

subroutine dratedc	(	integer	ns,
		integer	nr,
		double precision, dimension(nr)	rk,
		double precision, dimension(ns)	y,
		double precision, dimension(nr,ns)	dw
	)

dratedc

Computation of derivatives of reaction rates

Parameters

[in]	nr	total number of chemical reactions
[in]	ns	total number of chemical species
[in]	rk	kinetic rates
[in]	y	concentrations vector
[out]	dw	derivatives of reaction rates

fexchem()

subroutine fexchem	(	integer	ns,
		integer	nr,
		double precision, dimension(ns)	y,
		double precision, dimension(nr)	rk,
		double precision, dimension(ns)	zcsourc,
		double precision, dimension(ns)	convers_factor,
		double precision, dimension(ns)	chem
	)

fexchem

Computation of the chemical production terms

Parameters

[in]	nr	total number of chemical reactions
[in]	ns	total number of chemical species
[in]	y	concentrations vector
[in]	rk	kinetic rates
[in]	zcsourc	source term
[in]	convers_factor	conversion factors
[out]	chem	chemical production terms for every species

jacdchemdc()

subroutine jacdchemdc	(	integer	ns,
		integer	nr,
		double precision, dimension(ns)	y,
		double precision, dimension(ns)	convers_factor,
		double precision, dimension(ns,ns)	convers_factor_jac,
		double precision, dimension(nr)	rk,
		double precision, dimension(ns,ns)	jacc
	)

jacdchemdc

Computation of the Jacobian matrix for atmospheric chemistry

Parameters

[in]	nr	total number of chemical reactions
[in]	ns	total number of chemical species
[in]	y	concentrations vector
[in]	convers_factor	conversion factors of mug/m3 to molecules/cm3
[in]	convers_factor_jac	conversion factors for the Jacobian matrix (Wmol(i)/Wmol(j))
[in]	rk	kinetic rates
[out]	jacc	Jacobian matrix

kinetic()

subroutine kinetic	(	integer	nr,
		double precision, dimension(nr)	rk,
		double precision	temp,
		double precision	xlw,
		double precision	press,
		double precision	azi,
		double precision	att,
		integer	option_photolysis
	)

kinetic

Computation of kinetic rates for atmospheric chemistry

Parameters

[in]	nr	total number of chemical reactions
[in]	option_photolysis	flag to activate or not photolysis reactions
[in]	azi	solar zenith angle
[in]	att	atmospheric attenuation variable
[in]	temp	temperature
[in]	press	pressure
[in]	xlw	water massic fraction
[out]	rk(nr)	kinetic rates

lu_decompose()

subroutine lu_decompose	(	integer	ns,
		double precision, dimension(ns,ns)	m
	)

lu_decompose

Computation of LU factorization of matrix m

Parameters

[in]	ns	matrix row number from the chemical species number
[in,out]	m	on entry, an invertible matrix. On exit, an LU factorization of m

lu_solve()

subroutine lu_solve	(	integer	ns,
		double precision, dimension(ns,ns)	m,
		double precision, dimension(ns)	x
	)

lu_solve

Resolution of MY=X where M is an LU factorization computed by lu_decompose

Parameters

[in]	ns	matrix row number from the chemical species number
[in]	m	an LU factorization computed by lu_decompose
[in,out]	x	on entry, the right-hand side of the equation

rates()

subroutine rates	(	integer	ns,
		integer	nr,
		double precision, dimension(nr)	rk,
		double precision, dimension(ns)	y,
		double precision, dimension(nr)	w
	)

rates

Computation of reaction rates

Parameters

[in]	nr	total number of chemical reactions
[in]	ns	total number of chemical species
[in]	rk	kinetic rates
[in]	y	concentrations vector
[out]	w	reaction rates