Header file for reaction solver functions. More...

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Functions
void	rxn_aqueous_equilibrium_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_aqueous_equilibrium_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_aqueous_equilibrium_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_aqueous_equilibrium_print (int rxn_int_data, double rxn_float_data)
	Print the Aqueous Equilibrium reaction parameters.

void	rxn_aqueous_equilibrium_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_aqueous_equilibrium_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_arrhenius_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_arrhenius_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_arrhenius_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_arrhenius_print (int rxn_int_data, double rxn_float_data)
	Print the Arrhenius reaction parameters.

void	rxn_arrhenius_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_arrhenius_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_CMAQ_H2O2_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_CMAQ_H2O2_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_CMAQ_H2O2_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_CMAQ_H2O2_print (int rxn_int_data, double rxn_float_data)
	Print the CMAQ_H2O2 reaction parameters.

void	rxn_CMAQ_H2O2_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_CMAQ_H2O2_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_CMAQ_OH_HNO3_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_CMAQ_OH_HNO3_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_CMAQ_OH_HNO3_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_CMAQ_OH_HNO3_print (int rxn_int_data, double rxn_float_data)
	Print the CMAQ_OH_HNO3 reaction parameters.

void	rxn_CMAQ_OH_HNO3_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_CMAQ_OH_HNO3_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_condensed_phase_arrhenius_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_condensed_phase_arrhenius_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_condensed_phase_arrhenius_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_condensed_phase_arrhenius_print (int rxn_int_data, double rxn_float_data)
	Print the Condensed Phase Arrhenius reaction parameters.

void	rxn_condensed_phase_arrhenius_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_condensed_phase_arrhenius_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_condensed_phase_photolysis_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_condensed_phase_photolysis_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_condensed_phase_photolysis_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_condensed_phase_photolysis_print (int rxn_int_data, double rxn_float_data)
	Print the Condensed Phase photolysis reaction parameters.

bool	rxn_condensed_phase_photolysis_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data.

void	rxn_condensed_phase_photolysis_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_condensed_phase_photolysis_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void *	rxn_condensed_phase_photolysis_create_rate_update_data ()
	Create update data for new photolysis rates.

void	rxn_condensed_phase_photolysis_set_rate_update_data (void *update_data, int photo_id, double base_rate)
	Set rate update data.

void	rxn_emission_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_emission_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_emission_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

bool	rxn_emission_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data.

void	rxn_emission_print (int rxn_int_data, double rxn_float_data)
	Print the reaction parameters.

void	rxn_emission_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_emission_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void *	rxn_emission_create_rate_update_data ()
	Create update data for new emission rates.

void	rxn_emission_set_rate_update_data (void *update_data, int rxn_id, double base_rate)
	Set rate update data.

void	rxn_first_order_loss_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_first_order_loss_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_first_order_loss_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

bool	rxn_first_order_loss_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data.

void	rxn_first_order_loss_print (int rxn_int_data, double rxn_float_data)
	Print the reaction parameters.

void	rxn_first_order_loss_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_first_order_loss_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void *	rxn_first_order_loss_create_rate_update_data ()
	Create update data for new first-order loss rates.

void	rxn_first_order_loss_set_rate_update_data (void *update_data, int rxn_id, double base_rate)
	Set rate update data.

void	rxn_HL_phase_transfer_get_used_jac_elem (ModelData model_data, int rxn_int_data, double rxn_float_data, Jacobian jac)
	Flag Jacobian elements used by this reaction.

void	rxn_HL_phase_transfer_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_HL_phase_transfer_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_HL_phase_transfer_print (int rxn_int_data, double rxn_float_data)
	Print the Phase Transfer reaction parameters.

void	rxn_HL_phase_transfer_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_HL_phase_transfer_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void	rxn_photolysis_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_photolysis_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_photolysis_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

bool	rxn_photolysis_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data.

void	rxn_photolysis_print (int rxn_int_data, double rxn_float_data)
	Print the Photolysis reaction parameters.

void	rxn_photolysis_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_photolysis_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void *	rxn_photolysis_create_rate_update_data ()
	Create update data for new photolysis rates.

void	rxn_photolysis_set_rate_update_data (void *update_data, int photo_id, double base_rate)
	Set rate update data.

void	rxn_SIMPOL_phase_transfer_get_used_jac_elem (ModelData model_data, int rxn_int_data, double rxn_float_data, Jacobian jac)
	Flag Jacobian elements used by this reaction.

void	rxn_SIMPOL_phase_transfer_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_SIMPOL_phase_transfer_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_SIMPOL_phase_transfer_print (int rxn_int_data, double rxn_float_data)
	Print the Phase Transfer reaction parameters.

void	rxn_SIMPOL_phase_transfer_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_SIMPOL_phase_transfer_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void	rxn_surface_get_used_jac_elem (ModelData model_data, int rxn_int_data, double rxn_float_data, Jacobian jac)
	Flag Jacobian elements used by this reaction.

void	rxn_surface_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_surface_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_surface_print (int rxn_int_data, double rxn_float_data)
	Print the surface reaction parameters.

void	rxn_surface_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_surface_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void	rxn_ternary_chemical_activation_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_ternary_chemical_activation_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_ternary_chemical_activation_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_ternary_chemical_activation_print (int rxn_int_data, double rxn_float_data)
	Print the Ternary Chemical Activation reaction parameters.

void	rxn_ternary_chemical_activation_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_ternary_chemical_activation_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void	rxn_troe_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_troe_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_troe_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_troe_print (int rxn_int_data, double rxn_float_data)
	Print the Troe reaction parameters.

void	rxn_troe_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_troe_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void	rxn_wennberg_no_ro2_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_wennberg_no_ro2_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_wennberg_no_ro2_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

bool	rxn_wennberg_no_ro2_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)

void	rxn_wennberg_no_ro2_print (int rxn_int_data, double rxn_float_data)
	Print the Wennberg NO + RO2 reaction parameters.

void	rxn_wennberg_no_ro2_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_wennberg_no_ro2_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void *	rxn_wennberg_no_ro2_create_rate_update_data ()

void	rxn_wennberg_no_ro2_set_rate_update_data (void *update_data, int rxn_id, double base_rate)

void	rxn_wennberg_tunneling_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_wennberg_tunneling_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_wennberg_tunneling_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

bool	rxn_wennberg_tunneling_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)

void	rxn_wennberg_tunneling_print (int rxn_int_data, double rxn_float_data)
	Print the Wennberg tunneling reaction parameters.

void	rxn_wennberg_tunneling_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void	rxn_wennberg_tunneling_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)

void *	rxn_wennberg_tunneling_create_rate_update_data ()

void	rxn_wennberg_tunneling_set_rate_update_data (void *update_data, int rxn_id, double base_rate)

void	rxn_wet_deposition_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_wet_deposition_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_wet_deposition_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

bool	rxn_wet_deposition_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data.

void	rxn_wet_deposition_print (int rxn_int_data, double rxn_float_data)
	Print the reaction parameters.

void	rxn_wet_deposition_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_wet_deposition_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void *	rxn_wet_deposition_create_rate_update_data ()
	Create update data for new wet deposition rates.

void	rxn_wet_deposition_set_rate_update_data (void *update_data, int rxn_id, double base_rate)
	Set rate update data.

Detailed Description

Header file for reaction solver functions.

Definition in file rxns.h.

Function Documentation

◆ rxn_aqueous_equilibrium_calc_deriv_contrib()

void rxn_aqueous_equilibrium_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_aqueous_equilibrium_calc_jac_contrib()

void rxn_aqueous_equilibrium_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_aqueous_equilibrium_get_used_jac_elem()

void rxn_aqueous_equilibrium_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 70 of file rxn_aqueous_equilibrium.c.

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◆ rxn_aqueous_equilibrium_print()

void rxn_aqueous_equilibrium_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Aqueous Equilibrium reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 549 of file rxn_aqueous_equilibrium.c.

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◆ rxn_aqueous_equilibrium_update_env_state()

void rxn_aqueous_equilibrium_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Aqueous Equilibrium reaction this only involves recalculating the forward rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 244 of file rxn_aqueous_equilibrium.c.

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◆ rxn_aqueous_equilibrium_update_ids()

void rxn_aqueous_equilibrium_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 132 of file rxn_aqueous_equilibrium.c.

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◆ rxn_arrhenius_calc_deriv_contrib()

void rxn_arrhenius_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_arrhenius_calc_jac_contrib()

void rxn_arrhenius_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_arrhenius_get_used_jac_elem()

void rxn_arrhenius_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 44 of file rxn_arrhenius.c.

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◆ rxn_arrhenius_print()

void rxn_arrhenius_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Arrhenius reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 220 of file rxn_arrhenius.c.

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◆ rxn_arrhenius_update_env_state()

void rxn_arrhenius_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Arrhenius reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 103 of file rxn_arrhenius.c.

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◆ rxn_arrhenius_update_ids()

void rxn_arrhenius_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 69 of file rxn_arrhenius.c.

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◆ rxn_CMAQ_H2O2_calc_deriv_contrib()

void rxn_CMAQ_H2O2_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_CMAQ_H2O2_calc_jac_contrib()

void rxn_CMAQ_H2O2_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_CMAQ_H2O2_get_used_jac_elem()

void rxn_CMAQ_H2O2_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 45 of file rxn_CMAQ_H2O2.c.

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◆ rxn_CMAQ_H2O2_print()

void rxn_CMAQ_H2O2_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the CMAQ_H2O2 reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 227 of file rxn_CMAQ_H2O2.c.

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◆ rxn_CMAQ_H2O2_update_env_state()

void rxn_CMAQ_H2O2_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For CMAQ_H2O2 reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 106 of file rxn_CMAQ_H2O2.c.

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◆ rxn_CMAQ_H2O2_update_ids()

void rxn_CMAQ_H2O2_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 70 of file rxn_CMAQ_H2O2.c.

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◆ rxn_CMAQ_OH_HNO3_calc_deriv_contrib()

void rxn_CMAQ_OH_HNO3_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_CMAQ_OH_HNO3_calc_jac_contrib()

void rxn_CMAQ_OH_HNO3_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_CMAQ_OH_HNO3_get_used_jac_elem()

void rxn_CMAQ_OH_HNO3_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 49 of file rxn_CMAQ_OH_HNO3.c.

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◆ rxn_CMAQ_OH_HNO3_print()

void rxn_CMAQ_OH_HNO3_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the CMAQ_OH_HNO3 reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 235 of file rxn_CMAQ_OH_HNO3.c.

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◆ rxn_CMAQ_OH_HNO3_update_env_state()

void rxn_CMAQ_OH_HNO3_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For CMAQ_OH_HNO3 reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 110 of file rxn_CMAQ_OH_HNO3.c.

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◆ rxn_CMAQ_OH_HNO3_update_ids()

void rxn_CMAQ_OH_HNO3_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 74 of file rxn_CMAQ_OH_HNO3.c.

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◆ rxn_condensed_phase_arrhenius_calc_deriv_contrib()

void rxn_condensed_phase_arrhenius_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_condensed_phase_arrhenius_calc_jac_contrib()

void rxn_condensed_phase_arrhenius_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_condensed_phase_arrhenius_get_used_jac_elem()

void rxn_condensed_phase_arrhenius_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 51 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_print()

void rxn_condensed_phase_arrhenius_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Condensed Phase Arrhenius reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 359 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_update_env_state()

void rxn_condensed_phase_arrhenius_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Condensed Phase Arrhenius reaction this only involves recalculating the forward rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 156 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_update_ids()

void rxn_condensed_phase_arrhenius_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 94 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_photolysis_calc_deriv_contrib()

void rxn_condensed_phase_photolysis_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_condensed_phase_photolysis_calc_jac_contrib()

void rxn_condensed_phase_photolysis_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_condensed_phase_photolysis_create_rate_update_data()

void * rxn_condensed_phase_photolysis_create_rate_update_data ( )

Create update data for new photolysis rates.

Returns: Pointer to a new rate update data object

Definition at line 464 of file rxn_condensed_phase_photolysis.c.

◆ rxn_condensed_phase_photolysis_get_used_jac_elem()

void rxn_condensed_phase_photolysis_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 45 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_print()

void rxn_condensed_phase_photolysis_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Condensed Phase photolysis reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 378 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_set_rate_update_data()

void rxn_condensed_phase_photolysis_set_rate_update_data	(	void *	update_data,
		int	photo_id,
		double	base_rate
	)

Set rate update data.

Parameters

update_data	Pointer to an allocated rate update data object
photo_id	Id of photolysis reactions to update
base_rate	New pre-scaling photolysis rate

Definition at line 479 of file rxn_condensed_phase_photolysis.c.

◆ rxn_condensed_phase_photolysis_update_data()

bool rxn_condensed_phase_photolysis_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data.

Photolysis reactions can have their base (pre-scaling) rate constants updated from the host model based on the calculations of an external photolysis module. The structure of the update data is:

int photo_id (Id of one or more photolysis reactions set by the host model using the camp_rxn_photolysis::rxn_photolysis_t::set_photo_id function prior to initializing the solver.)
double rate_const (New pre-scaling rate constant.)

Parameters

update_data	Pointer to the updated reaction data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent data

Returns: Flag indicating whether this is the reaction to update

Definition at line 157 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_update_env_state()

void rxn_condensed_phase_photolysis_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Condensed Phase photolysis reaction this only involves recalculating the forward rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 185 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_update_ids()

void rxn_condensed_phase_photolysis_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 88 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_emission_calc_deriv_contrib()

void rxn_emission_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 133 of file rxn_emission.c.

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◆ rxn_emission_calc_jac_contrib()

void rxn_emission_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 160 of file rxn_emission.c.

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◆ rxn_emission_create_rate_update_data()

void * rxn_emission_create_rate_update_data ( )

Create update data for new emission rates.

Returns: Pointer to a new rate update data object

Definition at line 192 of file rxn_emission.c.

◆ rxn_emission_get_used_jac_elem()

void rxn_emission_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 36 of file rxn_emission.c.

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◆ rxn_emission_print()

void rxn_emission_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 179 of file rxn_emission.c.

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◆ rxn_emission_set_rate_update_data()

void rxn_emission_set_rate_update_data	(	void *	update_data,
		int	rxn_id,
		double	base_rate
	)

Set rate update data.

Parameters

update_data	Pointer to an allocated rate update data object
rxn_id	Id of emission reactions to update
base_rate	New pre-scaling emission rate

Definition at line 207 of file rxn_emission.c.

◆ rxn_emission_update_data()

bool rxn_emission_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data.

Emission reactions can have their base (pre-scaling) rates updated from the host model based on the calculations of an external module. The structure of the update data is:

int rxn_id (Id of one or more emission reactions set by the host model using the camp_rxn_emission::rxn_emission_t::set_rxn_id function prior to initializing the solver.)
double rate (New pre-scaling rate.)

Parameters

update_data	Pointer to the updated reaction data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent data

Returns: Flag indicating whether this is the reaction to update

Definition at line 82 of file rxn_emission.c.

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◆ rxn_emission_update_env_state()

void rxn_emission_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For emission reactions this only involves recalculating the rate.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 109 of file rxn_emission.c.

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◆ rxn_emission_update_ids()

void rxn_emission_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 52 of file rxn_emission.c.

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◆ rxn_first_order_loss_calc_deriv_contrib()

void rxn_first_order_loss_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 143 of file rxn_first_order_loss.c.

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◆ rxn_first_order_loss_calc_jac_contrib()

void rxn_first_order_loss_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 171 of file rxn_first_order_loss.c.

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◆ rxn_first_order_loss_create_rate_update_data()

void * rxn_first_order_loss_create_rate_update_data ( )

Create update data for new first-order loss rates.

Returns: Pointer to a new rate update data object

Definition at line 208 of file rxn_first_order_loss.c.

◆ rxn_first_order_loss_get_used_jac_elem()

void rxn_first_order_loss_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 37 of file rxn_first_order_loss.c.

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◆ rxn_first_order_loss_print()

void rxn_first_order_loss_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 195 of file rxn_first_order_loss.c.

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◆ rxn_first_order_loss_set_rate_update_data()

void rxn_first_order_loss_set_rate_update_data	(	void *	update_data,
		int	rxn_id,
		double	base_rate
	)

Set rate update data.

Parameters

update_data	Pointer to an allocated rate update data object
rxn_id	Id of first-order loss reactions to update
base_rate	New pre-scaling first-order loss rate

Definition at line 223 of file rxn_first_order_loss.c.

◆ rxn_first_order_loss_update_data()

bool rxn_first_order_loss_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data.

First-Order loss reactions can have their base (pre-scaling) rate constants updated from the host model based on the calculations of an external module. The structure of the update data is:

int rxn_id (Id of one or more first-order loss reactions set by the host model using the camp_rxn_first_order_loss::rxn_first_order_loss_t::set_rxn_id function prior to initializing the solver.)
double rate_const (New pre-scaling rate constant.)

Parameters

update_data	Pointer to the updated reaction data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent data

Returns: Flag indicating whether this is the reaction to update

Definition at line 89 of file rxn_first_order_loss.c.

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◆ rxn_first_order_loss_update_env_state()

void rxn_first_order_loss_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For first-order loss reactions this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 118 of file rxn_first_order_loss.c.

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◆ rxn_first_order_loss_update_ids()

void rxn_first_order_loss_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 56 of file rxn_first_order_loss.c.

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◆ rxn_HL_phase_transfer_calc_deriv_contrib()

void rxn_HL_phase_transfer_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Bug:: this does not work for modal/binned aero reps. Needs update following the logic in the SIMPOL partitioning reaction

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 265 of file rxn_HL_phase_transfer.c.

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◆ rxn_HL_phase_transfer_calc_jac_contrib()

void rxn_HL_phase_transfer_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 354 of file rxn_HL_phase_transfer.c.

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◆ rxn_HL_phase_transfer_get_used_jac_elem()

void rxn_HL_phase_transfer_get_used_jac_elem	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 72 of file rxn_HL_phase_transfer.c.

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◆ rxn_HL_phase_transfer_print()

void rxn_HL_phase_transfer_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Phase Transfer reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 510 of file rxn_HL_phase_transfer.c.

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◆ rxn_HL_phase_transfer_update_env_state()

void rxn_HL_phase_transfer_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Phase Transfer reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 209 of file rxn_HL_phase_transfer.c.

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◆ rxn_HL_phase_transfer_update_ids()

void rxn_HL_phase_transfer_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 149 of file rxn_HL_phase_transfer.c.

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◆ rxn_photolysis_calc_deriv_contrib()

void rxn_photolysis_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 161 of file rxn_photolysis.c.

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◆ rxn_photolysis_calc_jac_contrib()

void rxn_photolysis_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 207 of file rxn_photolysis.c.

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◆ rxn_photolysis_create_rate_update_data()

void * rxn_photolysis_create_rate_update_data ( )

Create update data for new photolysis rates.

Returns: Pointer to a new rate update data object

Definition at line 262 of file rxn_photolysis.c.

◆ rxn_photolysis_get_used_jac_elem()

void rxn_photolysis_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 41 of file rxn_photolysis.c.

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◆ rxn_photolysis_print()

void rxn_photolysis_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Photolysis reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 249 of file rxn_photolysis.c.

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◆ rxn_photolysis_set_rate_update_data()

void rxn_photolysis_set_rate_update_data	(	void *	update_data,
		int	photo_id,
		double	base_rate
	)

Set rate update data.

Parameters

update_data	Pointer to an allocated rate update data object
photo_id	Id of photolysis reactions to update
base_rate	New pre-scaling photolysis rate

Definition at line 277 of file rxn_photolysis.c.

◆ rxn_photolysis_update_data()

bool rxn_photolysis_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data.

Photolysis reactions can have their base (pre-scaling) rate constants updated from the host model based on the calculations of an external photolysis module. The structure of the update data is:

int photo_id (Id of one or more photolysis reactions set by the host model using the camp_rxn_photolysis::rxn_photolysis_t::set_photo_id function prior to initializing the solver.)
double rate_const (New pre-scaling rate constant.)

Parameters

update_data	Pointer to the updated reaction data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent data

Returns: Flag indicating whether this is the reaction to update

Definition at line 109 of file rxn_photolysis.c.

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◆ rxn_photolysis_update_env_state()

void rxn_photolysis_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Photolysis reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 137 of file rxn_photolysis.c.

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◆ rxn_photolysis_update_ids()

void rxn_photolysis_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 66 of file rxn_photolysis.c.

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◆ rxn_SIMPOL_phase_transfer_calc_deriv_contrib()

void rxn_SIMPOL_phase_transfer_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 279 of file rxn_SIMPOL_phase_transfer.c.

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◆ rxn_SIMPOL_phase_transfer_calc_jac_contrib()

void rxn_SIMPOL_phase_transfer_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 415 of file rxn_SIMPOL_phase_transfer.c.

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◆ rxn_SIMPOL_phase_transfer_get_used_jac_elem()

void rxn_SIMPOL_phase_transfer_get_used_jac_elem	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 84 of file rxn_SIMPOL_phase_transfer.c.

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◆ rxn_SIMPOL_phase_transfer_print()

void rxn_SIMPOL_phase_transfer_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Phase Transfer reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 751 of file rxn_SIMPOL_phase_transfer.c.

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◆ rxn_SIMPOL_phase_transfer_update_env_state()

void rxn_SIMPOL_phase_transfer_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Phase Transfer reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

save the mean free path [m] for calculating condensation rates

Definition at line 220 of file rxn_SIMPOL_phase_transfer.c.

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◆ rxn_SIMPOL_phase_transfer_update_ids()

void rxn_SIMPOL_phase_transfer_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data for finding sub model ids
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 163 of file rxn_SIMPOL_phase_transfer.c.

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◆ rxn_surface_calc_deriv_contrib()

void rxn_surface_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 203 of file rxn_surface.c.

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◆ rxn_surface_calc_jac_contrib()

void rxn_surface_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 264 of file rxn_surface.c.

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◆ rxn_surface_get_used_jac_elem()

void rxn_surface_get_used_jac_elem	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 56 of file rxn_surface.c.

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◆ rxn_surface_print()

void rxn_surface_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the surface reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 363 of file rxn_surface.c.

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◆ rxn_surface_update_env_state()

void rxn_surface_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For surface reactions this only involves calculating the mean speed of the reacting species

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 178 of file rxn_surface.c.

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◆ rxn_surface_update_ids()

void rxn_surface_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 132 of file rxn_surface.c.

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◆ rxn_ternary_chemical_activation_calc_deriv_contrib()

void rxn_ternary_chemical_activation_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 148 of file rxn_ternary_chemical_activation.c.

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◆ rxn_ternary_chemical_activation_calc_jac_contrib()

void rxn_ternary_chemical_activation_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 193 of file rxn_ternary_chemical_activation.c.

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◆ rxn_ternary_chemical_activation_get_used_jac_elem()

void rxn_ternary_chemical_activation_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 48 of file rxn_ternary_chemical_activation.c.

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◆ rxn_ternary_chemical_activation_print()

void rxn_ternary_chemical_activation_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Ternary Chemical Activation reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 235 of file rxn_ternary_chemical_activation.c.

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◆ rxn_ternary_chemical_activation_update_env_state()

void rxn_ternary_chemical_activation_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Ternary Chemical Activation reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 111 of file rxn_ternary_chemical_activation.c.

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◆ rxn_ternary_chemical_activation_update_ids()

void rxn_ternary_chemical_activation_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 74 of file rxn_ternary_chemical_activation.c.

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◆ rxn_troe_calc_deriv_contrib()

void rxn_troe_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 143 of file rxn_troe.c.

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◆ rxn_troe_calc_jac_contrib()

void rxn_troe_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 189 of file rxn_troe.c.

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◆ rxn_troe_get_used_jac_elem()

void rxn_troe_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 47 of file rxn_troe.c.

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◆ rxn_troe_print()

void rxn_troe_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Troe reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 231 of file rxn_troe.c.

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◆ rxn_troe_update_env_state()

void rxn_troe_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Troe reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 107 of file rxn_troe.c.

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◆ rxn_troe_update_ids()

void rxn_troe_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 72 of file rxn_troe.c.

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◆ rxn_wennberg_no_ro2_calc_deriv_contrib()

void rxn_wennberg_no_ro2_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_wennberg_no_ro2_calc_jac_contrib()

void rxn_wennberg_no_ro2_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_wennberg_no_ro2_create_rate_update_data()

void * rxn_wennberg_no_ro2_create_rate_update_data ( )

◆ rxn_wennberg_no_ro2_get_used_jac_elem()

void rxn_wennberg_no_ro2_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 50 of file rxn_wennberg_no_ro2.c.

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◆ rxn_wennberg_no_ro2_print()

void rxn_wennberg_no_ro2_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Wennberg NO + RO2 reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 278 of file rxn_wennberg_no_ro2.c.

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◆ rxn_wennberg_no_ro2_set_rate_update_data()

void rxn_wennberg_no_ro2_set_rate_update_data	(	void *	update_data,
		int	rxn_id,
		double	base_rate
	)

◆ rxn_wennberg_no_ro2_update_data()

bool rxn_wennberg_no_ro2_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

◆ rxn_wennberg_no_ro2_update_env_state()

void rxn_wennberg_no_ro2_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Wennberg NO + RO2 reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 129 of file rxn_wennberg_no_ro2.c.

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◆ rxn_wennberg_no_ro2_update_ids()

void rxn_wennberg_no_ro2_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 76 of file rxn_wennberg_no_ro2.c.

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◆ rxn_wennberg_tunneling_calc_deriv_contrib()

void rxn_wennberg_tunneling_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_wennberg_tunneling_calc_jac_contrib()

void rxn_wennberg_tunneling_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

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◆ rxn_wennberg_tunneling_create_rate_update_data()

void * rxn_wennberg_tunneling_create_rate_update_data ( )

◆ rxn_wennberg_tunneling_get_used_jac_elem()

void rxn_wennberg_tunneling_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 43 of file rxn_wennberg_tunneling.c.

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◆ rxn_wennberg_tunneling_print()

void rxn_wennberg_tunneling_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Wennberg tunneling reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 221 of file rxn_wennberg_tunneling.c.

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◆ rxn_wennberg_tunneling_set_rate_update_data()

void rxn_wennberg_tunneling_set_rate_update_data	(	void *	update_data,
		int	rxn_id,
		double	base_rate
	)

◆ rxn_wennberg_tunneling_update_data()

bool rxn_wennberg_tunneling_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

◆ rxn_wennberg_tunneling_update_env_state()

void rxn_wennberg_tunneling_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For Wennberg tunneling reaction this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 103 of file rxn_wennberg_tunneling.c.

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◆ rxn_wennberg_tunneling_update_ids()

void rxn_wennberg_tunneling_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 69 of file rxn_wennberg_tunneling.c.

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◆ rxn_wet_deposition_calc_deriv_contrib()

void rxn_wet_deposition_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 149 of file rxn_wet_deposition.c.

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◆ rxn_wet_deposition_calc_jac_contrib()

void rxn_wet_deposition_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 179 of file rxn_wet_deposition.c.

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◆ rxn_wet_deposition_create_rate_update_data()

void * rxn_wet_deposition_create_rate_update_data ( )

Create update data for new wet deposition rates.

Returns: Pointer to a new rate update data object

Definition at line 218 of file rxn_wet_deposition.c.

◆ rxn_wet_deposition_get_used_jac_elem()

void rxn_wet_deposition_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 38 of file rxn_wet_deposition.c.

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◆ rxn_wet_deposition_print()

void rxn_wet_deposition_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 205 of file rxn_wet_deposition.c.

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◆ rxn_wet_deposition_set_rate_update_data()

void rxn_wet_deposition_set_rate_update_data	(	void *	update_data,
		int	rxn_id,
		double	base_rate
	)

Set rate update data.

Parameters

update_data	Pointer to an allocated rate update data object
rxn_id	Id of wet deposition reactions to update
base_rate	New pre-scaling wet deposition rate

Definition at line 233 of file rxn_wet_deposition.c.

◆ rxn_wet_deposition_update_data()

bool rxn_wet_deposition_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data.

Wet deposition reactions can have their base (pre-scaling) rate constants updated from the host model based on the calculations of an external module. The structure of the update data is:

int rxn_id (Id of one or more wet deposition reactions set by the host model using the camp_rxn_wet_deposition::rxn_wet_deposition_t::set_rxn_id function prior to initializing the solver.)
double rate_const (New pre-scaling rate constant.)

Parameters

update_data	Pointer to the updated reaction data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent data

Returns: Flag indicating whether this is the reaction to update

Definition at line 95 of file rxn_wet_deposition.c.

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◆ rxn_wet_deposition_update_env_state()

void rxn_wet_deposition_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For wet deposition reactions this only involves recalculating the rate constant.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 124 of file rxn_wet_deposition.c.

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◆ rxn_wet_deposition_update_ids()

void rxn_wet_deposition_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 59 of file rxn_wet_deposition.c.

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Functions

Detailed Description

Function Documentation

◆ rxn_aqueous_equilibrium_calc_deriv_contrib()

◆ rxn_aqueous_equilibrium_calc_jac_contrib()

◆ rxn_aqueous_equilibrium_get_used_jac_elem()

◆ rxn_aqueous_equilibrium_print()

◆ rxn_aqueous_equilibrium_update_env_state()

◆ rxn_aqueous_equilibrium_update_ids()

◆ rxn_arrhenius_calc_deriv_contrib()

◆ rxn_arrhenius_calc_jac_contrib()

◆ rxn_arrhenius_get_used_jac_elem()

◆ rxn_arrhenius_print()

◆ rxn_arrhenius_update_env_state()

◆ rxn_arrhenius_update_ids()

◆ rxn_CMAQ_H2O2_calc_deriv_contrib()

◆ rxn_CMAQ_H2O2_calc_jac_contrib()

◆ rxn_CMAQ_H2O2_get_used_jac_elem()

◆ rxn_CMAQ_H2O2_print()

◆ rxn_CMAQ_H2O2_update_env_state()

◆ rxn_CMAQ_H2O2_update_ids()

◆ rxn_CMAQ_OH_HNO3_calc_deriv_contrib()

◆ rxn_CMAQ_OH_HNO3_calc_jac_contrib()

◆ rxn_CMAQ_OH_HNO3_get_used_jac_elem()

◆ rxn_CMAQ_OH_HNO3_print()

◆ rxn_CMAQ_OH_HNO3_update_env_state()

◆ rxn_CMAQ_OH_HNO3_update_ids()

◆ rxn_condensed_phase_arrhenius_calc_deriv_contrib()

◆ rxn_condensed_phase_arrhenius_calc_jac_contrib()

◆ rxn_condensed_phase_arrhenius_get_used_jac_elem()

◆ rxn_condensed_phase_arrhenius_print()

◆ rxn_condensed_phase_arrhenius_update_env_state()

◆ rxn_condensed_phase_arrhenius_update_ids()

◆ rxn_condensed_phase_photolysis_calc_deriv_contrib()

◆ rxn_condensed_phase_photolysis_calc_jac_contrib()

◆ rxn_condensed_phase_photolysis_create_rate_update_data()

◆ rxn_condensed_phase_photolysis_get_used_jac_elem()

◆ rxn_condensed_phase_photolysis_print()

◆ rxn_condensed_phase_photolysis_set_rate_update_data()

◆ rxn_condensed_phase_photolysis_update_data()

◆ rxn_condensed_phase_photolysis_update_env_state()

◆ rxn_condensed_phase_photolysis_update_ids()

◆ rxn_emission_calc_deriv_contrib()

◆ rxn_emission_calc_jac_contrib()

◆ rxn_emission_create_rate_update_data()

◆ rxn_emission_get_used_jac_elem()

◆ rxn_emission_print()

◆ rxn_emission_set_rate_update_data()

◆ rxn_emission_update_data()

◆ rxn_emission_update_env_state()

◆ rxn_emission_update_ids()

◆ rxn_first_order_loss_calc_deriv_contrib()

◆ rxn_first_order_loss_calc_jac_contrib()

◆ rxn_first_order_loss_create_rate_update_data()

◆ rxn_first_order_loss_get_used_jac_elem()

◆ rxn_first_order_loss_print()

◆ rxn_first_order_loss_set_rate_update_data()

◆ rxn_first_order_loss_update_data()

◆ rxn_first_order_loss_update_env_state()

◆ rxn_first_order_loss_update_ids()

◆ rxn_HL_phase_transfer_calc_deriv_contrib()

◆ rxn_HL_phase_transfer_calc_jac_contrib()

◆ rxn_HL_phase_transfer_get_used_jac_elem()

◆ rxn_HL_phase_transfer_print()

◆ rxn_HL_phase_transfer_update_env_state()

◆ rxn_HL_phase_transfer_update_ids()

◆ rxn_photolysis_calc_deriv_contrib()

◆ rxn_photolysis_calc_jac_contrib()

◆ rxn_photolysis_create_rate_update_data()

◆ rxn_photolysis_get_used_jac_elem()

◆ rxn_photolysis_print()

◆ rxn_photolysis_set_rate_update_data()

◆ rxn_photolysis_update_data()

◆ rxn_photolysis_update_env_state()

◆ rxn_photolysis_update_ids()

◆ rxn_SIMPOL_phase_transfer_calc_deriv_contrib()

◆ rxn_SIMPOL_phase_transfer_calc_jac_contrib()

◆ rxn_SIMPOL_phase_transfer_get_used_jac_elem()

◆ rxn_SIMPOL_phase_transfer_print()

◆ rxn_SIMPOL_phase_transfer_update_env_state()