mole_solve.cpp File Reference

#include "cddefines.h"
#include "called.h"
#include "dense.h"
#include "deuterium.h"
#include "ionbal.h"
#include "thermal.h"
#include "phycon.h"
#include "hmi.h"
#include "dynamics.h"
#include "conv.h"
#include "trace.h"
#include "timesc.h"
#include "mole.h"
#include "mole_priv.h"
#include "grainvar.h"
#include "h2.h"
#include "newton_step.h"

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Macros
#define	SMALLABUND   1e-24
#define	ABSLIM   1e-12
#define	ERRLIM   1e-12
#define	MAT(a, I_, J_)   ((a)[(I_)*(mole_global.num_compacted)+(J_)])

Enumerations
enum	{ PRINTSOL = false }

Functions
void	check_co_ion_converge (void)
STATIC void	funjac (GroupMap &MoleMap, const valarray< double > &b2vec, double *const ervals, double *const amat, const bool lgJac, bool *lgConserve)
STATIC void	mole_h_fixup (void)
STATIC void	grouped_elems (const double bvec[], double mole_elems[])
double	mole_solve ()
STATIC void	mole_eval_dynamic_balance (long int num_total, double *b, bool lgJac, multi_arr< double, 2 > &c)

Macro Definition Documentation

ABSLIM

#define ABSLIM   1e-12

Definition at line 331 of file mole_solve.cpp.

ERRLIM

#define ERRLIM   1e-12

Definition at line 332 of file mole_solve.cpp.

MAT

#define MAT	(		a,
			I_,
			J_
	)		((a)[(I_)*(mole_global.num_compacted)+(J_)])

Definition at line 336 of file mole_solve.cpp.

SMALLABUND

#define SMALLABUND   1e-24

Definition at line 47 of file mole_solve.cpp.

Enumeration Type Documentation

anonymous enum

anonymous enum

Enumerator
PRINTSOL

Definition at line 340 of file mole_solve.cpp.

Function Documentation

check_co_ion_converge()

void check_co_ion_converge

(

void

)

Definition at line 242 of file mole_solve.cpp.

References conv, DEBUG_ENTRY, dense, findspecieslocal(), t_dense::gas_phase, ipCARBON, ipOXYGEN, t_dense::lgElmtOn, SDIV(), t_conv::setConvIonizFail(), and t_dense::xIonDense.

Referenced by mole_solve().

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funjac()

STATIC void funjac	(	GroupMap &	MoleMap,
		const valarray< double > &	b2vec,
		double *const	ervals,
		double *const	amat,
		const bool	lgJac,
		bool *	lgConserve
	)

Definition at line 342 of file mole_solve.cpp.

References amat, ASSERT, atom_list, DEBUG_ENTRY, dynamics, GroupMap::fion, fnzone, get_ptr(), grouped_elems(), groupspecies, molecule::index, ioQQQ, iteration, t_dynamics::lgAdvection, t_trace::lgTrace, t_trace::lgTraceMole, t_mole_global::list, MAT, mole, mole_eval_dynamic_balance(), mole_global, GroupMap::molElems, t_dynamics::n_initial_relax, molecule::nAtom, t_mole_global::num_calc, t_mole_global::num_compacted, t_mole_global::num_total, PRINTSOL, t_dynamics::Rate, SDIV(), t_mole_local::species, trace, and GroupMap::updateMolecules().

Referenced by mole_solve().

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grouped_elems()

STATIC void grouped_elems	(	const double	bvec[],
		double	mole_elems[]
	)

Definition at line 544 of file mole_solve.cpp.

References atom_list, groupspecies, mole_global, molecule::nAtom, and t_mole_global::num_compacted.

Referenced by funjac(), and GroupMap::setup().

mole_eval_dynamic_balance()

STATIC void mole_eval_dynamic_balance	(	long int	num_total,
		double *	b,
		bool	lgJac,
		multi_arr< double, 2 > &	c
	)

Definition at line 720 of file mole_solve.cpp.

References ASSERT, DEBUG_ENTRY, dense, dynamics, t_dense::IonHigh, t_dense::IonLow, iteration, t_dynamics::lgAdvection, LIMELM, t_mole_global::list, mole, mole_eval_balance(), mole_global, t_dynamics::molecules, t_dynamics::n_initial_relax, t_mole_global::num_calc, t_dynamics::Rate, t_dynamics::Source, source, t_mole_local::species, unresolved_atom_list, and t_dense::xIonDense.

Referenced by funjac().

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mole_h_fixup()

STATIC void mole_h_fixup

(

void

)

Definition at line 276 of file mole_solve.cpp.

References GrainVar::bin, DEBUG_ENTRY, molezone::den, dense, t_hmi::deriv_HeatH2Dexc_TH85, findspecieslocal(), t_dense::gas_phase, gv, h2, t_hmi::H2_frac_abund_set, t_hmi::H2_total, t_hmi::H2_total_f, t_hmi::H2Opacity, t_hmi::h2plus_heat, t_hmi::HeatH2Dexc_TH85, t_hmi::HeatH2Dish_TH85, hmi, t_hmi::hmicol, t_hmi::hmidep, t_hmi::hmihet, ipHYDROGEN, mole, mole_global, t_mole_global::num_calc, diatomics::ortho_density, diatomics::ortho_density_f, diatomics::para_density, diatomics::para_density_f, SMALLFLOAT, t_mole_local::species, and t_dense::xIonDense.

Referenced by mole_solve().

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mole_solve()

double mole_solve

(

void

)

mole_solve fills in matrix for heavy elements molecular routines

Definition at line 49 of file mole_solve.cpp.

References ASSERT, atom_list, BIGFLOAT, check_co_ion_converge(), conv, DEBUG_ENTRY, dense, t_dense::eden, fixit(), fnzone, funjac(), get_ptr(), t_hmi::H2_frac_abund_set, hmi, t_conv::incrementCounter(), ionbal, t_conv::IonizErrorAllowed, ioQQQ, ipHYDROGEN, lgElemsConserved(), t_trace::lgTrace, mole, mole_global, mole_h_fixup(), mole_return_cached_species(), MOLE_SOLVE, MOLE_SOLVE_STEPS, newton_step(), t_mole_global::num_calc, t_mole_global::num_compacted, nzone, phycon, t_ionbal::RateIonizTot(), t_ionbal::RateRecomTot, SDIV(), t_conv::setConvIonizFail(), GroupMap::setup(), t_mole_local::sink, SMALLABUND, t_mole_local::source, t_mole_local::species, t_phycon::te, trace, GroupMap::updateMolecules(), and t_dense::xIonDense.

Referenced by mole_drive().

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