Line mixing calculation implementation. More...

#include "linemixing.h"
#include "abs_species_tags.h"
#include "complex.h"
#include "lin_alg.h"
#include "linefunctions.h"
#include "linescaling.h"
#include "sorting.h"
#include "species_info.h"
#include "wigner_functions.h"

Enumerations
enum	Species { Species::CO2, Species::O2_66 }

Functions
Numeric	getB0 (const SpeciesTag &main)

AdiabaticFactor	adiabatic_factor (const SpeciesTag &main, const SpeciesTag &collider)

BasisRate	basis_rate (const SpeciesTag &main, const SpeciesTag &collider, const Numeric &T, const Numeric &T0)

Matrix	relaxation_matrix_calculations (const AbsorptionLines &band, const Vector &population, const SpeciesTag &collider, const Numeric &collider_vmr, const Numeric &T, const Index &size)

void	normalize_relaxation_matrix (Matrix &W, const Vector &population, const Vector &, const AbsorptionLines &band, const SpeciesAuxData &partition_functions, const Numeric &T)

Matrix	hartmann_relaxation_matrix (const AbsorptionLines &band, const Vector &population, const Vector &d0, const ArrayOfSpeciesTag &colliders, const Vector &colliders_vmr, const SpeciesAuxData &partition_functions, const Numeric &T, const Index &size)

Numeric	population_density (Numeric T, Numeric E0, Numeric F0, Numeric QT)

Numeric	dpopulation_densitydT (Numeric T, Numeric E0, Numeric F0, Numeric QT, Numeric dQTdT)

Vector	population_density_vector (const AbsorptionLines &band, const SpeciesAuxData &partition_functions, const Numeric &T)
	Compute the population density. More...

Vector	dipole_vector (const AbsorptionLines &band, const SpeciesAuxData &partition_functions)
	Dipole vector. More...

Vector	reduced_dipole_vector (const AbsorptionLines &band, const RedPoleType type)
	Reduced dipole vector. More...

Vector	rosenkranz_first_order (const AbsorptionLines &band, const Matrix &W, const Vector &d0)
	Computes Y for Rosenkranz's line mixing coefficients. More...

Vector	rosenkranz_shifting_second_order (const AbsorptionLines &band, const Matrix &W)
	Computes DV for Rosenkranz's line mixing coefficients. More...

Vector	rosenkranz_scaling_second_order (const AbsorptionLines &band, const Matrix &W, const Vector &d0)
	Computes G for Rosenkranz's line mixing coefficients. More...

Matrix	hartmann_ecs_interface (const AbsorptionLines &band, const ArrayOfSpeciesTag &collider_species, const Vector &collider_species_vmr, const SpeciesAuxData &partition_functions, const Numeric &T, const Index &size)
	Energy corrected sudden relaxation matrix using Hartmann's method. More...

void	linearized_relaxation_matrix (Tensor3 &M, const ArrayOfRational &Ji, const ArrayOfRational &Jf, const ArrayOfRational &l2i, const ArrayOfRational &l2f, [[maybe_unused]] const Vector &F0, const Vector &d, const Vector &rho, const Numeric &T, const Vector &a=Vector(params, 1))

Matrix	CO2_ir_training (const ArrayOfRational &Ji, const ArrayOfRational &Jf, const ArrayOfRational &l2i, const ArrayOfRational &l2f, const Vector &F0, const Vector &d, const Vector &rho, const Vector &gamma, const Numeric &T)
	CO2 IR training algorithm for linearization. More...

Numeric	o2_66_inelastic_cross_section_makarov (int L, Numeric T)

Numeric	o2_66_adiabatic_factor_makarov (int L, Numeric T, Numeric collider_mass)

SecondOrderLineMixingCoeffs	compute_2nd_order_lm_coeff (ConstVectorView y, ConstVectorView x, const Numeric exp, const Numeric x0)
	Fit to a second order line mixing formula the input. More...

ComplexVector	equivalent_linestrengths (const Vector &population, const Vector &dipole, const Eigen::ComplexEigenSolver< Eigen::MatrixXcd > &M)
	Equivalent line strengths. More...

Numeric	total_linestrengths (const Vector &population, const Vector &dipole)
	Sum of line strengths. More...

void	relmatInAir (Matrix &relmat, const AbsorptionLines &band, const SpeciesAuxData &partition_functions, const Index &wigner_initialized, const Numeric &temperature)
	Compute the relaxation matrix in air mixture. More...

Variables
constexpr auto	params = 10

Detailed Description

Line mixing calculation implementation.

Author: Richard Larsson

Date: 2018-08-06

This file contains only experimental code to test the F90-routines. It might evolve to replace it at some point but that is beyond present ability

Definition in file linemixing.cc.

Enumeration Type Documentation

◆ Species

enum Species

strong

Enumerator
CO2
O2_66

Definition at line 97 of file linemixing.cc.

Function Documentation

◆ adiabatic_factor()

AdiabaticFactor adiabatic_factor	(	const SpeciesTag &	main,
		const SpeciesTag &	collider
	)

inline

Definition at line 60 of file linemixing.cc.

References AdiabaticFactor::Hartmann, and SpeciesTag::IsSpecies().

Referenced by relaxation_matrix_calculations().

◆ basis_rate()

BasisRate basis_rate	(	const SpeciesTag &	main,
		const SpeciesTag &	collider,
		const Numeric &	T,
		const Numeric &	T0
	)

inline

Definition at line 74 of file linemixing.cc.

References BasisRate::Hartmann, Conversion::hitran2arts_broadening(), SpeciesTag::IsSpecies(), and pow().

Referenced by relaxation_matrix_calculations().

◆ CO2_ir_training()

Matrix CO2_ir_training	(	const ArrayOfRational &	Ji,
		const ArrayOfRational &	Jf,
		const ArrayOfRational &	l2i,
		const ArrayOfRational &	l2f,
		const Vector &	F0,
		const Vector &	d,
		const Vector &	rho,
		const Vector &	gamma,
		const Numeric &	T
	)

CO2 IR training algorithm for linearization.

Parameters

[in]	Ji	J init for all lines
[in]	Jf	J final for all lines
[in]	l2i	l2 init for all lines
[in]	l2f	l2 final for all lines
[in]	F0	Central frequency
[in]	d	Dipole for each line
[in]	rho	The population density for each line
[in]	gamma	Pressure broadening for each line
[in]	T	Temperature

Returns: Matrix Relaxation Matrix

Definition at line 665 of file linemixing.cc.

References i, joker, linearized_relaxation_matrix(), lsf(), M, n, Array< base >::nelem(), and params.

◆ compute_2nd_order_lm_coeff()

SecondOrderLineMixingCoeffs compute_2nd_order_lm_coeff	(	ConstVectorView	y,
		ConstVectorView	x,
		const Numeric	exp,
		const Numeric	x0
	)

Fit to a second order line mixing formula the input.

Finds best fit [c0, c1] of y(x) = (c0 + c1 * (x0 / x - 1.)) * pow(x0 / x, exp)

Parameters

[in]	y	Y-axis
[in]	x	X-axis
[in]	exp	Exponent
[in]	x0	Zero-value of x0

Returns: SecondOrderLineMixingCoeffs

Definition at line 835 of file linemixing.cc.

References i, n, and ConstVectorView::nelem().

◆ dipole_vector()

Vector dipole_vector	(	const AbsorptionLines &	abs_lines,
		const SpeciesAuxData &	partition_functions
	)

Dipole vector.

Parameters

[in]	abs_lines	One band of lines
[in]	partition_functions	Method to compute the partition function

Returns: Vector Dipole for each line

Definition at line 371 of file linemixing.cc.

References n, Absorption::Lines::NumLines(), population_density_vector(), and Absorption::Lines::T0().

Referenced by abs_lines_per_speciesSetLineMixingFromRelmat(), abs_xsec_per_speciesAddLineMixedLines(), abs_xsec_per_speciesAddLineMixedLinesInAir(), and hartmann_ecs_interface().

◆ dpopulation_densitydT()

Numeric dpopulation_densitydT	(	Numeric	T,
		Numeric	E0,
		Numeric	F0,
		Numeric	QT,
		Numeric	dQTdT
	)

inline

Definition at line 333 of file linemixing.cc.

References boltzman_factor(), dboltzman_factordT(), dstimulated_emissiondT(), Constant::pow2(), and stimulated_emission().

◆ equivalent_linestrengths()

ComplexVector equivalent_linestrengths	(	const Vector &	population,
		const Vector &	dipole,
		const Eigen::ComplexEigenSolver< Eigen::MatrixXcd > &	M
	)

Equivalent line strengths.

Parameters

[in]	population	The population density for each line
[in]	dipole	Dipole for each line
[in]	M	Solver

Returns: ComplexVector Equivalent line strengths of each line

Definition at line 884 of file linemixing.cc.

References Molecule::O2_66::B, i, n, and ConstVectorView::nelem().

Referenced by abs_xsec_per_speciesAddLineMixedLines(), and abs_xsec_per_speciesAddLineMixedLinesInAir().

◆ getB0()

Numeric getB0 ( const SpeciesTag & main )

inline

Definition at line 39 of file linemixing.cc.

References SpeciesTag::IsIsotopologue(), SpeciesTag::IsSpecies(), and Conversion::kaycm2freq().

Referenced by relaxation_matrix_calculations().

◆ hartmann_ecs_interface()

Matrix hartmann_ecs_interface	(	const AbsorptionLines &	abs_lines,
		const ArrayOfSpeciesTag &	collider_species,
		const Vector &	collider_species_vmr,
		const SpeciesAuxData &	partition_functions,
		const Numeric &	T,
		const Index &	size
	)

Energy corrected sudden relaxation matrix using Hartmann's method.

Parameters

[in]	abs_lines	One band of lines
[in]	collider_species	Species tag of collider
[in]	collider_species_vmr	VMR of collider
[in]	partition_functions	Method to compute the partition function
[in]	T	Temperature
[in]	size	Number of elements

Returns: Relaxation Matrix

Definition at line 501 of file linemixing.cc.

References dipole_vector(), hartmann_relaxation_matrix(), and population_density_vector().

Referenced by relmatInAir().

◆ hartmann_relaxation_matrix()

Matrix hartmann_relaxation_matrix	(	const AbsorptionLines &	band,
		const Vector &	population,
		const Vector &	d0,
		const ArrayOfSpeciesTag &	colliders,
		const Vector &	colliders_vmr,
		const SpeciesAuxData &	partition_functions,
		const Numeric &	T,
		const Index &	size
	)

inline

Definition at line 286 of file linemixing.cc.

References n, and Absorption::Lines::NumLines().

Referenced by hartmann_ecs_interface().

◆ linearized_relaxation_matrix()

void linearized_relaxation_matrix	(	Tensor3 &	M,
		const ArrayOfRational &	Ji,
		const ArrayOfRational &	Jf,
		const ArrayOfRational &	l2i,
		const ArrayOfRational &	l2f,
		[[maybe_unused] ] const Vector &	F0,
		const Vector &	d,
		const Vector &	rho,
		const Numeric &	T,
		const Vector &	a = `Vector(params, 1)`
	)

Definition at line 589 of file linemixing.cc.

References n, and Array< base >::nelem().

Referenced by CO2_ir_training().

◆ normalize_relaxation_matrix()

void normalize_relaxation_matrix	(	Matrix &	W,
		const Vector &	population,
		const Vector &	,
		const AbsorptionLines &	band,
		const SpeciesAuxData &	partition_functions,
		const Numeric &	T
	)

◆ o2_66_adiabatic_factor_makarov()

Numeric o2_66_adiabatic_factor_makarov	(	int	L,
		Numeric	T,
		Numeric	collider_mass
	)

Definition at line 721 of file linemixing.cc.

Referenced by OffDiagonalElement::O2_66_MW().

◆ o2_66_inelastic_cross_section_makarov()

Numeric o2_66_inelastic_cross_section_makarov	(	int	L,
		Numeric	T
	)

Definition at line 710 of file linemixing.cc.

Referenced by OffDiagonalElement::O2_66_MW().

◆ population_density()

Numeric population_density	(	Numeric	T,
		Numeric	E0,
		Numeric	F0,
		Numeric	QT
	)

inline

Definition at line 326 of file linemixing.cc.

References boltzman_factor(), and stimulated_emission().

◆ population_density_vector()

Vector population_density_vector	(	const AbsorptionLines &	abs_lines,
		const SpeciesAuxData &	partition_functions,
		const Numeric &	T
	)

Compute the population density.

Parameters

[in]	abs_lines	One band of lines
[in]	partition_functions	Method to compute the partition function
[in]	T	Temperature

Returns: Vector The population density for each line

Definition at line 342 of file linemixing.cc.

References SpeciesAuxData::getParam(), SpeciesAuxData::getParamType(), n, Absorption::Lines::NumLines(), Absorption::Lines::QuantumIdentity(), and single_partition_function().

Referenced by abs_xsec_per_speciesAddLineMixedLines(), abs_xsec_per_speciesAddLineMixedLinesInAir(), dipole_vector(), and hartmann_ecs_interface().

◆ reduced_dipole_vector()

Vector reduced_dipole_vector	(	const AbsorptionLines &	band,
		const RedPoleType	type
	)

Reduced dipole vector.

Computes the dipole moment

Parameters

abs_lines all absorption lines of the band

Returns: dipole moment of the absorption lines

Definition at line 401 of file linemixing.cc.

References ElectricRoVibDipole, i, J, l2, Absorption::Lines::LowerQuantumNumber(), MagneticQuadrapole, N, n, Absorption::Lines::NumLines(), Absorption::reduced_magnetic_quadrapole(), Absorption::reduced_rovibrational_dipole(), and Absorption::Lines::UpperQuantumNumber().

Referenced by normalize_relaxation_matrix().

◆ relaxation_matrix_calculations()

Matrix relaxation_matrix_calculations	(	const AbsorptionLines &	band,
		const Vector &	population,
		const SpeciesTag &	collider,
		const Numeric &	collider_vmr,
		const Numeric &	T,
		const Index &	size
	)

◆ relmatInAir()

void relmatInAir	(	Matrix &	relmat,
		const AbsorptionLines &	abs_lines,
		const SpeciesAuxData &	partition_functions,
		const Index &	wigner_initialized,
		const Numeric &	temperature
	)

Compute the relaxation matrix in air mixture.

Parameters

[out]	relmat	Relaxation matrix
[in]	abs_lines	Absorption band
[in]	partition_functions	Partition functions
[in]	wigner_initialized	Indication of the Wigner state
[in]	temperature	Atmospheric temperature

Definition at line 915 of file linemixing.cc.

References Absorption::Lines::BroadeningSpecies(), Absorption::ByRelmatHartmannLTE, hartmann_ecs_interface(), SpeciesTag::Isotopologue(), Absorption::Lines::Isotopologue(), Array< base >::nelem(), Absorption::Lines::Population(), SpeciesTag::Species(), and Absorption::Lines::Species().

Referenced by abs_xsec_per_speciesAddLineMixedLinesInAir().

◆ rosenkranz_first_order()

Vector rosenkranz_first_order	(	const AbsorptionLines &	abs_lines,
		const Matrix &	W,
		const Vector &	d0
	)

Computes Y for Rosenkranz's line mixing coefficients.

Parameters

[in]	abs_lines	One band of lines
[in]	W	Relaxation Matrix
[in]	d0	Dipole vector

Returns: Vector Y for each line

Definition at line 431 of file linemixing.cc.

References Absorption::Lines::F0(), i, n, and Absorption::Lines::NumLines().

Referenced by abs_lines_per_speciesSetLineMixingFromRelmat().

◆ rosenkranz_scaling_second_order()

Vector rosenkranz_scaling_second_order	(	const AbsorptionLines &	abs_lines,
		const Matrix &	W,
		const Vector &	d0
	)

Computes G for Rosenkranz's line mixing coefficients.

Parameters

[in]	abs_lines	One band of lines
[in]	W	Relaxation Matrix
[in]	d0	Dipole vector

Returns: Vector G for each line

Definition at line 466 of file linemixing.cc.

References Absorption::Lines::F0(), i, n, Absorption::Lines::NumLines(), Constant::pow2(), and r.

Referenced by abs_lines_per_speciesSetLineMixingFromRelmat().

◆ rosenkranz_shifting_second_order()

Vector rosenkranz_shifting_second_order	(	const AbsorptionLines &	abs_lines,
		const Matrix &	W
	)

Computes DV for Rosenkranz's line mixing coefficients.

Parameters

[in]	abs_lines	One band of lines
[in]	W	Relaxation Matrix

Returns: Vector DV for each line

Definition at line 449 of file linemixing.cc.

References Absorption::Lines::F0(), i, n, and Absorption::Lines::NumLines().

Referenced by abs_lines_per_speciesSetLineMixingFromRelmat().

◆ total_linestrengths()

Numeric total_linestrengths	(	const Vector &	population,
		const Vector &	dipole
	)

Sum of line strengths.

Parameters

[in]	population	The population density for each line
[in]	dipole	Dipole for each line

Returns: Numeric The sum

Definition at line 906 of file linemixing.cc.

References i, n, and ConstVectorView::nelem().

Variable Documentation

◆ params

constexpr auto params = 10

Definition at line 587 of file linemixing.cc.

Referenced by CO2_ir_training().

Enumerations

Functions

Variables

Detailed Description

Enumeration Type Documentation

◆ Species

Function Documentation

◆ adiabatic_factor()

◆ basis_rate()

◆ CO2_ir_training()

◆ compute_2nd_order_lm_coeff()

◆ dipole_vector()

◆ dpopulation_densitydT()

◆ equivalent_linestrengths()

◆ getB0()

◆ hartmann_ecs_interface()

◆ hartmann_relaxation_matrix()

◆ linearized_relaxation_matrix()

◆ normalize_relaxation_matrix()

◆ o2_66_adiabatic_factor_makarov()

◆ o2_66_inelastic_cross_section_makarov()

◆ population_density()

◆ population_density_vector()

◆ reduced_dipole_vector()

◆ relaxation_matrix_calculations()

◆ relmatInAir()

◆ rosenkranz_first_order()

◆ rosenkranz_scaling_second_order()

◆ rosenkranz_shifting_second_order()

◆ total_linestrengths()

Variable Documentation

◆ params