Reaction solver functions. More...

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Macros
#define	CAMP_DEBUG_SPEC_ 118

#define	RXN_ARRHENIUS 1

#define	RXN_TROE 2

#define	RXN_CMAQ_H2O2 3

#define	RXN_CMAQ_OH_HNO3 4

#define	RXN_PHOTOLYSIS 5

#define	RXN_HL_PHASE_TRANSFER 6

#define	RXN_AQUEOUS_EQUILIBRIUM 7

#define	RXN_SIMPOL_PHASE_TRANSFER 10

#define	RXN_CONDENSED_PHASE_ARRHENIUS 11

#define	RXN_FIRST_ORDER_LOSS 12

#define	RXN_EMISSION 13

#define	RXN_WET_DEPOSITION 14

#define	RXN_TERNARY_CHEMICAL_ACTIVATION 15

#define	RXN_WENNBERG_TUNNELING 16

#define	RXN_WENNBERG_NO_RO2 17

#define	RXN_CONDENSED_PHASE_PHOTOLYSIS 18

#define	RXN_SURFACE 19

Functions
void	rxn_get_used_jac_elem (ModelData model_data, Jacobian jac)
	Get the Jacobian elements used by a particular reaction.

void	rxn_update_ids (ModelData model_data, int deriv_ids, Jacobian jac)
	Update the time derivative and Jacobian array ids.

void	rxn_update_env_state (ModelData *model_data)
	Update reaction data for new environmental state.

void	rxn_calc_deriv (ModelData *model_data, TimeDerivative time_deriv, realtype time_step)
	Calculate the time derivative \(f(t,y)\).

void	rxn_calc_deriv_specific_types (ModelData *model_data, TimeDerivative time_deriv, realtype time_step)
	Calculate the time derivative \(f(t,y)\) for only some specific types.

void	rxn_calc_jac (ModelData *model_data, Jacobian jac, realtype time_step)
	Calculate the Jacobian.

void	rxn_calc_jac_specific_types (ModelData *model_data, Jacobian jac, realtype time_step)
	Calculate the Jacobian for only some specific types.

void	rxn_add_condensed_data (int rxn_type, int n_int_param, int n_float_param, int n_env_param, int int_param, double float_param, void *solver_data)
	Add condensed data to the condensed data block of memory.

void	rxn_update_data (int cell_id, int rxn_id, int update_rxn_type, void update_data, void *solver_data)
	Update reaction data.

void	rxn_print_data (void *solver_data)
	Print the reaction data.

void	rxn_free_update_data (void *update_data)
	Free an update data object.

Detailed Description

Reaction solver functions.

Definition in file rxn_solver.c.

Macro Definition Documentation

◆ CAMP_DEBUG_SPEC_

#define CAMP_DEBUG_SPEC_ 118

Definition at line 11 of file rxn_solver.c.

◆ RXN_AQUEOUS_EQUILIBRIUM

#define RXN_AQUEOUS_EQUILIBRIUM 7

Definition at line 25 of file rxn_solver.c.

◆ RXN_ARRHENIUS

#define RXN_ARRHENIUS 1

Definition at line 19 of file rxn_solver.c.

◆ RXN_CMAQ_H2O2

#define RXN_CMAQ_H2O2 3

Definition at line 21 of file rxn_solver.c.

◆ RXN_CMAQ_OH_HNO3

#define RXN_CMAQ_OH_HNO3 4

Definition at line 22 of file rxn_solver.c.

◆ RXN_CONDENSED_PHASE_ARRHENIUS

#define RXN_CONDENSED_PHASE_ARRHENIUS 11

Definition at line 27 of file rxn_solver.c.

◆ RXN_CONDENSED_PHASE_PHOTOLYSIS

#define RXN_CONDENSED_PHASE_PHOTOLYSIS 18

Definition at line 34 of file rxn_solver.c.

◆ RXN_EMISSION

#define RXN_EMISSION 13

Definition at line 29 of file rxn_solver.c.

◆ RXN_FIRST_ORDER_LOSS

#define RXN_FIRST_ORDER_LOSS 12

Definition at line 28 of file rxn_solver.c.

◆ RXN_HL_PHASE_TRANSFER

#define RXN_HL_PHASE_TRANSFER 6

Definition at line 24 of file rxn_solver.c.

◆ RXN_PHOTOLYSIS

#define RXN_PHOTOLYSIS 5

Definition at line 23 of file rxn_solver.c.

◆ RXN_SIMPOL_PHASE_TRANSFER

#define RXN_SIMPOL_PHASE_TRANSFER 10

Definition at line 26 of file rxn_solver.c.

◆ RXN_SURFACE

#define RXN_SURFACE 19

Definition at line 35 of file rxn_solver.c.

◆ RXN_TERNARY_CHEMICAL_ACTIVATION

#define RXN_TERNARY_CHEMICAL_ACTIVATION 15

Definition at line 31 of file rxn_solver.c.

◆ RXN_TROE

#define RXN_TROE 2

Definition at line 20 of file rxn_solver.c.

◆ RXN_WENNBERG_NO_RO2

#define RXN_WENNBERG_NO_RO2 17

Definition at line 33 of file rxn_solver.c.

◆ RXN_WENNBERG_TUNNELING

#define RXN_WENNBERG_TUNNELING 16

Definition at line 32 of file rxn_solver.c.

◆ RXN_WET_DEPOSITION

#define RXN_WET_DEPOSITION 14

Definition at line 30 of file rxn_solver.c.

Function Documentation

◆ rxn_add_condensed_data()

void rxn_add_condensed_data	(	int	rxn_type,
		int	n_int_param,
		int	n_float_param,
		int	n_env_param,
		int *	int_param,
		double *	float_param,
		void *	solver_data
	)

Add condensed data to the condensed data block of memory.

Parameters

rxn_type	Reaction type
n_int_param	Number of integer parameters
n_float_param	Number of floating-point parameters
n_env_param	Number of environment-dependent parameters
int_param	Pointer to integer parameter array
float_param	Pointer to floating-point parameter array
solver_data	Pointer to solver data

Definition at line 658 of file rxn_solver.c.

◆ rxn_calc_deriv()

void rxn_calc_deriv	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		realtype	time_step
	)

Calculate the time derivative \(f(t,y)\).

Parameters

model_data	Pointer to the model data
time_deriv	TimeDerivative to use to build derivative array
time_step	Current model time step (s)

Definition at line 322 of file rxn_solver.c.

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◆ rxn_calc_deriv_specific_types()

void rxn_calc_deriv_specific_types	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		realtype	time_step
	)

Calculate the time derivative \(f(t,y)\) for only some specific types.

Parameters

model_data	Pointer to the model data
time_deriv	TimeDerivative to use to build derivative array
time_step	Current model time step (s)

Definition at line 439 of file rxn_solver.c.

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◆ rxn_calc_jac()

void rxn_calc_jac	(	ModelData *	model_data,
		Jacobian	jac,
		realtype	time_step
	)

Calculate the Jacobian.

Parameters

model_data	Pointer to the model data
jac	The reaction Jacobian (for one grid cell)
time_step	Current model time step (s)

Definition at line 482 of file rxn_solver.c.

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◆ rxn_calc_jac_specific_types()

void rxn_calc_jac_specific_types	(	ModelData *	model_data,
		Jacobian	jac,
		realtype	time_step
	)

Calculate the Jacobian for only some specific types.

Parameters

model_data	Pointer to the model data
jac	The reaction Jacobian (for one grid cell)
time_step	Current model time step (s)

Definition at line 595 of file rxn_solver.c.

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◆ rxn_free_update_data()

void rxn_free_update_data ( void * update_data )

Free an update data object.

Parameters

update_data Object to free

Definition at line 851 of file rxn_solver.c.

◆ rxn_get_used_jac_elem()

void rxn_get_used_jac_elem	(	ModelData *	model_data,
		Jacobian *	jac
	)

Get the Jacobian elements used by a particular reaction.

Parameters

model_data	A pointer to the model data
jac	Jacobian

Definition at line 42 of file rxn_solver.c.

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◆ rxn_print_data()

void rxn_print_data ( void * solver_data )

Print the reaction data.

Parameters

solver_data Pointer to the solver data

Definition at line 769 of file rxn_solver.c.

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◆ rxn_update_data()

void rxn_update_data	(	int	cell_id,
		int *	rxn_id,
		int	update_rxn_type,
		void *	update_data,
		void *	solver_data
	)

Update reaction data.

Update data for one or more reactions. Reactions of a certain type are passed a void pointer to updated data that must be in the format specified by the reaction type. This data could be used to find specific reactions of the specified type and, for example, update rate constants.

Parameters

cell_id	Id of the grid cell to update
rxn_id	Id of the reaction (or 0 if unknown)
update_rxn_type	Type of the reaction
update_data	Pointer to updated data to pass to the reaction
solver_data	Pointer to solver data

Definition at line 708 of file rxn_solver.c.

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◆ rxn_update_env_state()

void rxn_update_env_state ( ModelData * model_data )

Update reaction data for new environmental state.

Parameters

model_data Pointer to the model data with updated env state

Definition at line 224 of file rxn_solver.c.

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◆ rxn_update_ids()

void rxn_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac
	)

Update the time derivative and Jacobian array ids.

Parameters

model_data	Pointer to the model data
deriv_ids	Ids for state variables on the time derivative array
jac	Jacobian

Definition at line 131 of file rxn_solver.c.

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Macros

Functions

Detailed Description

Macro Definition Documentation

◆ CAMP_DEBUG_SPEC_

◆ RXN_AQUEOUS_EQUILIBRIUM

◆ RXN_ARRHENIUS

◆ RXN_CMAQ_H2O2

◆ RXN_CMAQ_OH_HNO3

◆ RXN_CONDENSED_PHASE_ARRHENIUS

◆ RXN_CONDENSED_PHASE_PHOTOLYSIS

◆ RXN_EMISSION

◆ RXN_FIRST_ORDER_LOSS

◆ RXN_HL_PHASE_TRANSFER

◆ RXN_PHOTOLYSIS

◆ RXN_SIMPOL_PHASE_TRANSFER

◆ RXN_SURFACE

◆ RXN_TERNARY_CHEMICAL_ACTIVATION

◆ RXN_TROE

◆ RXN_WENNBERG_NO_RO2

◆ RXN_WENNBERG_TUNNELING

◆ RXN_WET_DEPOSITION

Function Documentation

◆ rxn_add_condensed_data()

◆ rxn_calc_deriv()

◆ rxn_calc_deriv_specific_types()

◆ rxn_calc_jac()

◆ rxn_calc_jac_specific_types()

◆ rxn_free_update_data()

◆ rxn_get_used_jac_elem()

◆ rxn_print_data()

◆ rxn_update_data()

◆ rxn_update_env_state()

◆ rxn_update_ids()