#include <h2_priv.h>

Collaboration diagram for diatomics:

Public Member Functions
double	Abund () const

void	GetIndices (long &ipHi, long &ipLo, const char *chLine, long &i) const

void	CalcPhotoionizationRate (void)

long	OpacityCreate (double *stack)

double	GetHeatRate (const diss_tran &tran)

double	GetDissociationRate (const diss_tran &tran)

double	MolDissocOpacity (const diss_tran &tran, const double &Mol_Ene)

double	Cont_Diss_Heat_Rate (void)

void	Mol_Photo_Diss_Rates (void)

void	Read_Mol_Diss_cross_sections (void)

void	SolveExcitedElectronicLevels (void)

void	SolveSomeGroundElectronicLevels (void)

double	GetExcitedElecDensity (void)

realnum	GetXColden (long iVib, long iRot)

long int	getLine (long iElecHi, long iVibHi, long iRotHi, long iElecLo, long iVibLo, long iRotLo, double relint, double absint)

realnum	H2_CollidRateEvalOne (long iVibHi, long iRotHi, long iVibLo, long iRotLo, long ipHi, long ipLo, long nColl, double temp_K)

void	H2_Calc_Average_Rates (void)

void	H2_X_sink_and_source (void)

void	H2_X_coll_rate_evaluate (void)

void	H2_Level_low_matrix (realnum abundance)

void	H2_ReadEnergies ()

void	H2_ReadEnergies (long int nelec, vector< int > &n, vector< int > &v, vector< int > &J, vector< double > &eWN)

void	H2_ReadDissprob (long int nelec)

void	H2_CollidRateEvalAll (void)

void	H2_CollidRateRead (long int nColl)

void	H2_ReadTransprob (long int nelec, TransitionList &trans)

void	H2_Read_hminus_distribution (void)

void	mole_H2_form (void)

void	mole_H2_LTE (void)

void	H2_Solomon_rate (void)

double	gs_rate (void)

void	H2_zero_pops_too_low (void)

void	init (void)

void	H2_ContPoint (void)

double	H2_DR (void)

double	H2_Accel (void)

void	H2_RT_OTS (void)

double	H2_RadPress (void)

void	H2_LinesAdd (void)

void	H2_Reset (void)

double	H2_InterEnergy (void)

void	H2_Colden (const char *chLabel)

void	H2_Cooling (const char *chString)

void	H2_Punch_line_data (FILE *ioPUN, bool lgDoAll)

void	H2_PunchLineStuff (FILE *io, realnum xLimit, long index)

void	H2_RT_diffuse (void)

void	H2_RTMake (void)

void	H2_RT_tau_inc (void)

void	H2_Prt_Zone (void)

void	H2_PrtDepartCoef (void)

void	H2_LineZero (void)

void	H2_RT_tau_reset (void)

void	H2_LevelPops (bool &lgPopsConverged, double &old_value, double &new_value)

void	H2_PunchDo (FILE *io, char chJOB[], const char chTime[], long int ipPun)

void	H2_Prt_line_tau (void)

void	H2_ParseSave (Parser &p, char *chHeader)

double	H2_itrzn (void)

void	H2_Prt_column_density (FILE *ioMEAN)

void	set_numLevelsMatrix (long numLevels)

void	H2_ReadDissocEnergies (void)

	diatomics (const string &a, const double &e_star, const double const abund, double(fun)(double))

Data Fields
double(*	photoion_opacity_fun )(double energy)

bool	lgREAD_DATA

double	photoionize_rate

double	photo_heat_soft

double	photo_heat_hard

double	photodissoc_BigH2_H2s

double	photodissoc_BigH2_H2g

double	spon_diss_tot

double	Solomon_dissoc_rate_g

double	Solomon_dissoc_rate_s

double	Solomon_elec_decay_g

double	Solomon_elec_decay_s

double	rate_grain_op_conserve

double	rate_grain_J1_to_J0

double	Cont_Dissoc_Rate_H2s

double	Cont_Dissoc_Rate_H2g

multi_arr< double, 3 >	Cont_Dissoc_Rate

double	rel_pop_LTE_g

double	rel_pop_LTE_s

double	average_energy_g

double	average_energy_s

double	HeatDiss

double	HeatDexc

double	HeatDexc_old

double	HeatDexc_deriv

double	HeatChangeOld

double	HeatChange

double	Average_A

double	Average_collH2_deexcit

double	Average_collH_deexcit

double	Average_collH2_excit

double	Average_collH_excit

double	Average_collH_dissoc_g

double	Average_collH_dissoc_s

double	Average_collH2_dissoc_g

double	Average_collH2_dissoc_s

bool	lgEvaluated

long	ip_photo_opac_thresh

long	ip_photo_opac_offset

t_coll_source	coll_source [N_X_COLLIDER]

double	ortho_density

double	para_density

realnum	ortho_density_f

realnum	para_density_f

double	ortho_colden

double	para_colden

double	ortho_para_old

double	ortho_para_older

double	ortho_para_current

double	renorm_max

double	renorm_min

long int	nCall_this_zone

bool	lgEnabled

int	nElecLevelOutput

bool	lgH2_H_coll_07

bool	lgColl_gbar

bool	lgColl_deexec_Calc

bool	lgColl_dissoc_coll

bool	lgH2_grain_deexcitation

bool	lgLTE

bool	lgH2_ortho_para_coll_on

bool	lgH2_He_ORNL

bool	lgH2_ORH2_ORNL

bool	lgH2_PAH2_ORNL

bool	lgH2_NOISE

bool	lgH2_NOISECOSMIC

long int	loop_h2_oscil

long int	nzoneEval

double	xMeanNoise

double	xSTDNoise

double	H2_to_H_limit

realnum	mass_amu

int	nTRACE

int	n_trace_final

int	n_trace_iterations

int	n_trace_full

int	n_trace_matrix

long int	n_elec_states

double	frac_matrix

double	TeUsedBoltz

double	TeUsedColl

molecule *	sp

molecule *	sp_star

qList	states

TransitionList	trans

TransitionList::iterator	rad_end

vector< diss_tran >	Diss_Trans

const double	ENERGY_H2_STAR

Private Attributes
string	label

string	shortlabel

string	path

const double *const	dense_total

char	chH2ColliderLabels [N_X_COLLIDER][chN_X_COLLIDER]

long int	nEner_H2_ground

multi_arr< double, 2 >	pops_per_vib

double	H2_renorm_chemistry

multi_arr< realnum, 2 >	H2_X_coll_rate

double	H2_DissocEnergies [N_ELEC]

long int	nVib_hi [N_ELEC]

valarray< long >	nRot_hi [N_ELEC]

long int	Jlowest [N_ELEC]

long int	nLevels_per_elec [N_ELEC]

double	pops_per_elec [N_ELEC]

multi_arr< realnum, 3 >	CollRateCoeff

multi_arr< realnum, 3 >	CollRateErrFac

vector< CollRateCoeffArray >	RateCoefTable

multi_arr< realnum, 3 >	H2_dissprob

multi_arr< realnum, 3 >	H2_disske

multi_arr< double, 3 >	H2_rad_rate_out

multi_arr< double, 3 >	H2_old_populations

multi_arr< double, 3 >	H2_Boltzmann

multi_arr< double, 3 >	H2_populations_LTE

multi_arr< realnum, 3 >	H2_stat

multi_arr< bool, 3 >	H2_lgOrtho

long int	nzoneAsEval

long int	iterationAsEval

multi_arr< int, 2 >	H2_ipPhoto

multi_arr< double, 2 >	H2_col_rate_in

multi_arr< double, 2 >	H2_col_rate_out

multi_arr< double, 2 >	H2_rad_rate_in

multi_arr< realnum, 2 >	H2_X_formation

multi_arr< realnum, 2 >	H2_X_Hmin_back

multi_arr< realnum, 2 >	H2_X_colden

multi_arr< realnum, 2 >	H2_X_colden_LTE

multi_arr< double, 2 >	H2_X_rate_from_elec_excited

multi_arr< double, 2 >	H2_X_rate_to_elec_excited

multi_arr< realnum, 2 >	H2_coll_dissoc_rate_coef

multi_arr< realnum, 2 >	H2_coll_dissoc_rate_coef_H2

valarray< realnum >	H2_X_source

valarray< realnum >	H2_X_sink

multi_arr< realnum, 3 >	H2_X_grain_formation_distribution

double	H2_den_s

double	H2_den_g

multi_arr< realnum, 3 >	H2_X_hminus_formation_distribution

valarray< long >	ipVib_H2_energy_sort

valarray< long >	ipElec_H2_energy_sort

valarray< long >	ipRot_H2_energy_sort

multi_arr< long int, 3 >	ipEnergySort

multi_arr< long int, 2 >	ipTransitionSort

long int	nXLevelsMatrix

long int	ndimMalloced

double **	AulEscp

double **	col_str

double **	AulDest

double **	AulPump

double **	CollRate_levn

vector< double >	pops

vector< double >	create

vector< double >	destroy

vector< double >	depart

vector< double >	stat_levn

vector< double >	excit

long int	levelAsEval

bool	lgFirst

long int	nzone_eval

long int	iteration_evaluated

multi_arr< realnum, 6 >	H2_SaveLine

multi_arr< bool, 2 >	lgH2_radiative

long int	nH2_pops

long int	nH2_zone

long int	nzone_nlevel_set

long int	nCall_this_iteration

Detailed Description

Definition at line 59 of file h2_priv.h.

Constructor & Destructor Documentation

diatomics::diatomics	(	const string &	a,
		const double &	e_star,
		const double *const	abund,
		double(*)(double)	fun
	)

inlineexplicit

Todo:: 3 these should be const since cannot change, are flags

Definition at line 415 of file h2_priv.h.

References Average_A, Average_collH2_deexcit, Average_collH2_dissoc_g, Average_collH2_dissoc_s, Average_collH2_excit, Average_collH_deexcit, Average_collH_dissoc_g, Average_collH_dissoc_s, Average_collH_excit, chH2ColliderLabels, fixit(), H2_to_H_limit, HeatChange, HeatChangeOld, HeatDexc, HeatDexc_deriv, HeatDexc_old, HeatDiss, iteration_evaluated, iterationAsEval, label, levelAsEval, lgColl_deexec_Calc, lgColl_dissoc_coll, lgColl_gbar, lgEnabled, lgEvaluated, lgFirst, lgH2_grain_deexcitation, lgH2_H_coll_07, lgH2_He_ORNL, lgH2_NOISE, lgH2_NOISECOSMIC, lgH2_ORH2_ORNL, lgH2_ortho_para_coll_on, lgH2_PAH2_ORNL, lgLTE, lgREAD_DATA, loop_h2_oscil, N_ELEC, n_elec_states, n_trace_final, n_trace_full, n_trace_iterations, n_trace_matrix, nCall_this_zone, ndimMalloced, nElecLevelOutput, nH2_pops, nH2_zone, nTRACE, nXLevelsMatrix, nzone_eval, nzone_nlevel_set, nzoneAsEval, nzoneEval, ortho_colden, ortho_para_current, ortho_para_old, ortho_para_older, para_colden, path, photo_heat_hard, photo_heat_soft, photodissoc_BigH2_H2g, photodissoc_BigH2_H2s, photoion_opacity_fun, rate_grain_J1_to_J0, rate_grain_op_conserve, renorm_max, renorm_min, shortlabel, Solomon_dissoc_rate_g, Solomon_dissoc_rate_s, spon_diss_tot, TeUsedBoltz, TeUsedColl, and toupper().

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Member Function Documentation

double diatomics::Abund ( ) const

inline

Definition at line 62 of file h2_priv.h.

References dense_total.

void diatomics::CalcPhotoionizationRate ( void )

Definition at line 374 of file mole_h2_etc.cpp.

References t_ionbal::CompRecoilIonRate, DEBUG_ENTRY, GammaK(), t_phoHeat::HeatHiEnr, t_phoHeat::HeatLowEnr, ionbal, ip_photo_opac_offset, ip_photo_opac_thresh, ipHYDROGEN, iteration, iteration_evaluated, t_ionbal::lgPhotoIoniz_On, t_rfield::nupper, nzone, nzone_eval, photo_heat_hard, photo_heat_soft, photoionize_rate, and rfield.

Referenced by H2_LevelPops().

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double diatomics::Cont_Diss_Heat_Rate ( void )

Definition at line 223 of file mole_dissociate.cpp.

References DEBUG_ENTRY, Diss_Trans, lgEnabled, t_mole_global::lgStancil, Mol_Photo_Diss_Rates(), and mole_global.

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double diatomics::GetDissociationRate ( const diss_tran & tran )

Definition at line 211 of file mole_dissociate.cpp.

References DEBUG_ENTRY, diss_tran::initial, ipEnergySort, diss_level::j, diss_level::n, diss_tran::rate_coeff, states, and diss_level::v.

double diatomics::GetExcitedElecDensity ( void )

Definition at line 2521 of file mole_h2.cpp.

References n_elec_states, and pops_per_elec.

Referenced by H2_Solomon_rate().

double diatomics::GetHeatRate ( const diss_tran & tran )

Definition at line 244 of file mole_dissociate.cpp.

References t_rfield::anu, DEBUG_ENTRY, EN1RYD, diss_tran::energies, diss_tran::initial, ipEnergySort, ipoint(), diss_level::j, MIN2, diss_level::n, t_rfield::nflux, diss_tran::rate_coeff, rfield, states, and diss_level::v.

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void diatomics::GetIndices	(	long &	ipHi,
		long &	ipLo,
		const char *	chLine,
		long &	i
	)		const

Definition at line 212 of file mole_h2_coll.cpp.

References ASSERT, FFmtRead(), ipEnergySort, Jlowest, nRot_hi, nVib_hi, and swap().

Referenced by FunctDiatoms::operator()().

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long int diatomics::getLine	(	long	iElecHi,
		long	iVibHi,
		long	iRotHi,
		long	iElecLo,
		long	iVibLo,
		long	iRotLo,
		double *	relint,
		double *	absint
	)

Definition at line 1933 of file mole_h2_io.cpp.

References ASSERT, t_radius::Conv2PrtInten, DEBUG_ENTRY, H2_lgOrtho, H2_SaveLine, ipEnergySort, t_LineSave::ipNormWavL, lgH2_radiative, LineSave, LineSv, radius, t_LineSave::ScaleNormLine, states, and t_tag_LineSv::SumLine.

Referenced by cdH2_Line().

realnum diatomics::GetXColden	(	long	iVib,
		long	iRot
	)

Definition at line 2342 of file mole_h2.cpp.

References DEBUG_ENTRY, H2_X_colden, ioQQQ, nRot_hi, and nVib_hi.

Referenced by cdH2_colden().

double diatomics::gs_rate ( void )

gs_rate evaluate rate between ground and star states

Definition at line 111 of file mole_h2_etc.cpp.

References EmissionProxy::Aul(), DEBUG_ENTRY, TransitionList::Emis(), H2_den_g, H2_dissprob, H2_rad_rate_out, ipEnergySort, ipTransitionSort, Jlowest, lgH2_radiative, MAX2, n_elec_states, nEner_H2_ground, nRot_hi, nVib_hi, EmissionProxy::Pdest(), EmissionProxy::Pelec_esc(), EmissionProxy::Pesc(), SDIV(), states, and trans.

Referenced by H2_LevelPops(), and mole_h_reactions().

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double diatomics::H2_Accel ( void )

radiative acceleration due to H2 called in rt_line_driving

Definition at line 271 of file mole_h2.cpp.

References ASSERT, TransitionList::begin(), DEBUG_ENTRY, lgEnabled, rad_end, and trans.

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void diatomics::H2_Calc_Average_Rates ( void )

Definition at line 2436 of file mole_h2.cpp.

References Average_A, Average_collH2_deexcit, Average_collH2_excit, Average_collH_deexcit, Average_collH_excit, qList::begin(), TransitionList::begin(), CollRateCoeff, qList::end(), ENERGY_H2_STAR, H2_Boltzmann, H2_lgOrtho, H2_stat, hmi, ipEnergySort, ipTransitionSort, lgH2_radiative, t_hmi::lgLeiden_Keep_ipMH2s, SDIV(), states, and trans.

Referenced by H2_LevelPops().

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void diatomics::H2_Colden ( const char * chLabel )

H2_Colden maintain H2 column densities within X

Parameters

*chLabel

Definition at line 2361 of file mole_h2.cpp.

References qList::begin(), cdEXIT, DEBUG_ENTRY, dense_total, t_radius::drad_x_fillfac, qList::end(), EXIT_FAILURE, H2_populations_LTE, H2_X_colden, H2_X_colden_LTE, ioQQQ, lgEnabled, radius, states, and multi_arr< T, d, ALLOC, lgBC >::zero().

Referenced by molcol().

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void diatomics::H2_CollidRateEvalAll ( void )

H2_CollidRateEvalAll - set H2 collision rates

Definition at line 17 of file mole_h2_coll.cpp.

References ASSERT, CollRateCoeff, DEBUG_ENTRY, fixit(), H2_coll_dissoc_rate_coef, H2_coll_dissoc_rate_coef_H2, H2_CollidRateEvalOne(), H2_DissocEnergies, ioQQQ, ipRot_H2_energy_sort, ipVib_H2_energy_sort, label, lgColl_dissoc_coll, n_trace_full, N_X_COLLIDER, nLevels_per_elec, nTRACE, phycon, sexp(), states, t_phycon::te, and t_phycon::te_wn.

Referenced by H2_LevelPops().

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realnum diatomics::H2_CollidRateEvalOne	(	long	iVibHi,
		long	iRotHi,
		long	iVibLo,
		long	iRotLo,
		long	ipHi,
		long	ipLo,
		long	nColl,
		double	temp_K
	)

Definition at line 102 of file mole_h2_coll.cpp.

References CollRateErrFac, DEBUG_ENTRY, GbarRateCoeff(), H2_lgOrtho, InterpCollRate(), lgColl_deexec_Calc, lgColl_gbar, lgH2_NOISE, lgH2_ortho_para_coll_on, RateCoefTable, and states.

Referenced by H2_CollidRateEvalAll().

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void diatomics::H2_CollidRateRead ( long int nColl )

read collision rates

Parameters

nColl

Definition at line 170 of file mole_h2_coll.cpp.

References cdEXIT, t_input::chDelimiter, coll_source, DEBUG_ENTRY, EXIT_FAILURE, t_coll_source::filename, FILENAME_PATH_LENGTH_2, input, INPUT_LINE_LENGTH, ioQQQ, t_coll_source::magic, nLevels_per_elec, open_data(), path, RateCoefTable, read_whole_line(), and ReadCollisionRateTable().

Referenced by init().

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void diatomics::H2_ContPoint ( void )

set the ipCont struc element for the H2 molecule, called by ContCreatePointers

Definition at line 253 of file mole_h2.cpp.

References ASSERT, TransitionList::begin(), DEBUG_ENTRY, ipFineCont(), ipLineEnergy(), label, lgEnabled, rad_end, and trans.

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void diatomics::H2_Cooling ( const char * chString )

H2_cooling evaluate cooling and heating due to H2 molecule, string is name of calling routine

Parameters

*chString name of calling routine

Definition at line 2164 of file mole_h2.cpp.

References ASSERT, qList::begin(), multi_arr< T, d, ALLOC, lgBC >::begin(), collider_density, CollRateCoeff, conv, t_thermal::ctot, DEBUG_ENTRY, EN1EV, qList::end(), ERG1CM, fnzone, H2_Boltzmann, H2_disske, H2_dissprob, H2_renorm_chemistry, H2_stat, HeatDexc, HeatDexc_deriv, HeatDiss, ioQQQ, ipRot_H2_energy_sort, ipVib_H2_energy_sort, lgEnabled, t_conv::lgSearch, n_trace_full, N_X_COLLIDER, nCall_this_iteration, nLevels_per_elec, nTRACE, phycon, POW2, PRT_POPS, SDIV(), states, t_phycon::te, t_phycon::te_wn, and thermal.

Referenced by H2_LevelPops().

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double diatomics::H2_DR ( void )

H2_DR choose next zone thickness based on H2 big molecule

Definition at line 2406 of file mole_h2.cpp.

References BIGFLOAT.

double diatomics::H2_InterEnergy ( void )

internal energy of H2 called in PresTotCurrent

double diatomics::H2_itrzn ( void )

H2_itrzn - average number of H2 pop evaluations per zone

Definition at line 240 of file mole_h2.cpp.

References lgEnabled, nH2_pops, and nH2_zone.

Referenced by PrtFinal().

void diatomics::H2_Level_low_matrix ( realnum abundance )

Definition at line 448 of file mole_h2.cpp.

References ASSERT, atom_levelN(), AulDest, AulEscp, AulPump, TransitionList::begin(), cdEXIT, col_str, CollRate_levn, ConvFail(), create, DEBUG_ENTRY, dense_total, depart, destroy, excit, EXIT_FAILURE, g, H2_Boltzmann, H2_lgOrtho, H2_stat, H2_X_coll_rate, H2_X_rate_from_elec_excited, H2_X_rate_to_elec_excited, H2_X_sink, H2_X_source, ioQQQ, ipRot_H2_energy_sort, ipTransitionSort, ipVib_H2_energy_sort, iteration, iterationAsEval, levelAsEval, lgFirst, lgH2_radiative, MALLOC, n_trace_full, n_trace_matrix, ndimMalloced, nLevels_per_elec, nTRACE, nXLevelsMatrix, nzone, nzoneAsEval, pops, rate_grain_J1_to_J0, rate_grain_op_conserve, SDIV(), stat_levn, states, and trans.

Referenced by H2_LevelPops().

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void diatomics::H2_LevelPops	(	bool &	lgPopsConverged,
		double &	old_value,
		double &	new_value
	)

do level populations for H2, called by iso_solve

Definition at line 883 of file mole_h2.cpp.

References ASSERT, Average_collH2_dissoc_g, Average_collH2_dissoc_s, Average_collH_dissoc_g, Average_collH_dissoc_s, average_energy_g, average_energy_s, qList::begin(), TransitionList::begin(), multi_arr< T, d, ALLOC, lgBC >::begin(), CalcPhotoionizationRate(), t_rfield::ConInterOut, conv, t_thermal::ctot, DEBUG_ENTRY, dense, dense_total, t_dense::eden, t_conv::EdenErrorAllowed, qList::end(), multi_arr< T, d, ALLOC, lgBC >::end(), ENERGY_H2_STAR, EVRYD, fixit(), t_rfield::flux, fnzone, fp_equal(), fp_equal_tol(), FRAC, frac_matrix, g, gs_rate(), H2_Boltzmann, H2_Calc_Average_Rates(), H2_coll_dissoc_rate_coef, H2_coll_dissoc_rate_coef_H2, H2_CollidRateEvalAll(), H2_Cooling(), H2_den_g, H2_den_s, H2_DISS_ALLISON_DALGARNO, H2_DissocEnergies, t_hmi::H2_frac_abund_set, H2_Level_low_matrix(), H2_lgOrtho, H2_old_populations, H2_populations_LTE, H2_rad_rate_in, H2_rad_rate_out, t_hmi::H2_rate_destroy, H2_renorm_chemistry, H2_Solomon_rate(), H2_stat, H2_to_H_limit, H2_X_coll_rate_evaluate(), H2_X_rate_from_elec_excited, H2_X_rate_to_elec_excited, H2_X_sink_and_source(), H2_zero_pops_too_low(), HeatChange, HeatChangeOld, t_conv::HeatCoolRelErrorAllowed, HeatDexc, HeatDexc_old, hmi, t_thermal::htot, molecule::index, ioQQQ, ipElec_H2_energy_sort, ipEnergySort, ipoint(), ipRot_H2_energy_sort, ipVib_H2_energy_sort, label, lgAbort, t_conv::lgConvPops, lgEnabled, lgEvaluated, t_rfield::lgInducProcess, t_hmi::lgLeiden_Keep_ipMH2s, lgLTE, t_conv::lgSearch, t_thermal::lgTemperatureConstant, LIM_H2_POP_LOOP, loop_h2_oscil, MAX2, mole, mole_H2_form(), mole_H2_LTE(), mole_update_species_cache(), N_ELEC, n_trace_final, n_trace_full, n_trace_iterations, nCall_this_iteration, nCall_this_zone, nH2_pops, nH2_zone, nLevels_per_elec, t_conv::nTotalIoniz, nTRACE, t_trace::nTrConvg, nXLevelsMatrix, nzone, nzone_nlevel_set, nzoneEval, ortho_density, ortho_density_f, ortho_para_current, ortho_para_old, ortho_para_older, t_rfield::outlin, t_rfield::outlin_noplot, para_density, para_density_f, photodissoc_BigH2_H2g, photodissoc_BigH2_H2s, phycon, pops_per_elec, pops_per_vib, PRT_POPS, rad_end, rel_pop_LTE_g, rel_pop_LTE_s, rfield, SAHA, SDIV(), sexp(), SMALLFLOAT, Solomon_dissoc_rate_g, Solomon_dissoc_rate_s, SolveExcitedElectronicLevels(), SolveSomeGroundElectronicLevels(), sp, t_mole_local::species, states, t_phycon::te, t_phycon::te32, t_phycon::te_wn, TeUsedColl, thermal, TorF(), TotalInsanity(), trace, trans, and multi_arr< T, d, ALLOC, lgBC >::zero().

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void diatomics::H2_LinesAdd ( void )

add in explicit lines from the large H2 molecule, called by lines_molecules

Definition at line 49 of file mole_h2_io.cpp.

References TransitionList::begin(), DEBUG_ENTRY, t_radius::dVeffAper, H2_SaveLine, t_LineSave::ipass, ipEnergySort, ipTransitionSort, label, lgEnabled, lindst(), LineSave, nElecLevelOutput, PutLine(), rad_end, radius, and trans.

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void diatomics::H2_LineZero ( void )

initialize optical depths in H2, called from RT_tau_init

Definition at line 416 of file mole_h2.cpp.

References TransitionList::begin(), DEBUG_ENTRY, lgEnabled, rad_end, and trans.

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void diatomics::H2_ParseSave	(	Parser &	p,
		char *	chHeader
	)

H2_ParseSave parse the save h2 command

Definition at line 111 of file mole_h2_io.cpp.

References cdEXIT, chH2ColliderLabels, chN_X_COLLIDER, t_save::chSave, DEBUG_ENTRY, EXIT_FAILURE, Parser::getNumberDefault(), Parser::getNumberDefaultNegImplLog(), ioQQQ, N_X_COLLIDER, nElecLevelOutput, Parser::nMatch(), t_save::nsave, t_save::punarg, save, thresh_punline_h2, and t_save::whichDiatomToPrint.

Referenced by ParseSave().

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void diatomics::H2_Prt_column_density ( FILE * ioMEAN )

H2_Prt_column_density print H2 info into zone results, called from prtzone for each printed zone

Parameters

*ioMEAN this is stream used for io, is stdout when called by final, is save unit when save output generated

Definition at line 395 of file mole_h2_io.cpp.

References DEBUG_ENTRY, H2_X_colden, lgEnabled, nCall_this_zone, ortho_colden, para_colden, and SDIV().

Referenced by PrtColumns().

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void diatomics::H2_Prt_line_tau ( void )

print line optical depths, called from premet in response to print line optical depths command

Definition at line 1189 of file mole_h2_io.cpp.

References TransitionList::begin(), DEBUG_ENTRY, TransitionList::end(), lgEnabled, prme(), and trans.

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void diatomics::H2_Prt_Zone ( void )

H2_Prt_Zone print H2 info into zone results, called from prtzone for each printed zone

Definition at line 333 of file mole_h2_io.cpp.

References DEBUG_ENTRY, dense_total, ioQQQ, ipEnergySort, label, lgEnabled, nCall_this_zone, ortho_density, para_density, pops_per_vib, PrintEfmt, SDIV(), and states.

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void diatomics::H2_PrtDepartCoef ( void )

Definition at line 362 of file mole_h2_io.cpp.

References DEBUG_ENTRY, depart, ioQQQ, ipEnergySort, Jlowest, label, lgEnabled, n_elec_states, nCall_this_zone, nRot_hi, and nVib_hi.

void diatomics::H2_Punch_line_data	(	FILE *	ioPUN,
		bool	lgDoAll
	)

save H2 line data

Parameters

ioPUN	io unit for save
lgDoAll	save all levels if true, only subset if false

Definition at line 1127 of file mole_h2_io.cpp.

References TransitionList::begin(), cdEXIT, DEBUG_ENTRY, TransitionList::end(), EXIT_FAILURE, ioQQQ, lgEnabled, Save1LineData(), and trans.

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void diatomics::H2_PunchDo	(	FILE *	io,
		char	chJOB[],
		const char	chTime[],
		long int	ipPun
	)

save some properties of the large H2 molecule

Parameters

io
chJOB[]
chTime[]
ipPun

Definition at line 1226 of file mole_h2_io.cpp.

References ASSERT, EmissionProxy::Aul(), average_energy_g, average_energy_s, TransitionList::begin(), multi_arr< T, d, ALLOC, lgBC >::begin(), chMolBranch(), colden, t_colden::colden, t_colden::coldenH2_ov_vel, CollRateCoeff, t_radius::Conv2PrtInten, t_secondaries::csupra, t_thermal::ctot, DEBUG_ENTRY, dense, dense_total, t_radius::depth_mid_zone, TransitionList::Emis(), t_rfield::extin_mag_V_point, findspecieslocal(), g, t_dense::gas_phase, gv, H2_col_rate_in, H2_col_rate_out, H2_den_g, H2_den_s, H2_lgOrtho, H2_old_populations, H2_populations_LTE, H2_rad_rate_in, H2_rad_rate_out, t_hmi::H2_rate_destroy, H2_renorm_chemistry, H2_SaveLine, t_hmi::H2_Solomon_dissoc_rate_BD96_H2g, t_hmi::H2_Solomon_dissoc_rate_BD96_H2s, t_hmi::H2_Solomon_dissoc_rate_ELWERT_H2g, t_hmi::H2_Solomon_dissoc_rate_TH85_H2g, t_hmi::H2_Solomon_dissoc_rate_TH85_H2s, H2_stat, H2_X_colden, H2_X_colden_LTE, HeatDexc, HeatDiss, t_hmi::HeatH2Dexc_TH85, t_hmi::HeatH2Dish_TH85, hmi, t_thermal::htot, hyperfine, ipCOL_H2g, ipCOL_H2s, ipEnergySort, ipHYDROGEN, t_LineSave::ipNormWavL, ipRot_H2_energy_sort, ipTransitionSort, ipVib_H2_energy_sort, Jlowest, lgEnabled, lgEvaluated, lgH2_radiative, LineSave, LineSv, MAX2, MIN2, N_X_COLLIDER, nCall_this_zone, nElecLevelOutput, nLevels_per_elec, nRot_hi, t_LineSave::nsum, nVib_hi, ortho_colden, ortho_density, para_colden, para_density, EmissionProxy::Pdest(), EmissionProxy::Pelec_esc(), EmissionProxy::Pesc(), phycon, pops_per_elec, prt_wl(), t_save::punarg, rad_end, radius, GrainVar::rate_h2_form_grains_used_total, rfield, save, t_LineSave::ScaleNormLine, SDIV(), secondaries, SMALLFLOAT, Solomon_dissoc_rate_g, Solomon_dissoc_rate_s, Solomon_elec_decay_g, Solomon_elec_decay_s, spsort(), states, t_tag_LineSv::SumLine, t_phycon::te, thermal, thresh_punline_h2, trans, t_hyperfine::Tspin21cm, t_hmi::UV_Cont_rel2_Draine_DB96_depth, t_hmi::UV_Cont_rel2_Habing_spec_depth, and t_hmi::UV_Cont_rel2_Habing_TH85_depth.

Referenced by SaveDo().

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void diatomics::H2_PunchLineStuff	(	FILE *	io,
		realnum	xLimit,
		long	index
	)

include H2 lines in punched optical depths, etc, called from SaveLineStuff

Parameters

io
xLimit
index

Definition at line 1169 of file mole_h2_io.cpp.

References t_dense::AtomicWeight, TransitionList::begin(), DEBUG_ENTRY, dense, TransitionList::end(), GetDopplerWidth(), ipHYDROGEN, lgEnabled, Save1Line(), and trans.

Referenced by SaveLineStuff().

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double diatomics::H2_RadPress ( void )

rad pre due to h2 lines called in PresTotCurrent

Definition at line 294 of file mole_h2.cpp.

References ASSERT, TransitionList::begin(), DEBUG_ENTRY, GetDopplerWidth(), ioQQQ, lgEnabled, mass_amu, n_trace_full, nCall_this_zone, nTRACE, PressureRadiationLine(), rad_end, SMALLFLOAT, and trans.

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void diatomics::H2_Read_hminus_distribution ( void )

H2_Read_hminus_distribution read distribution function for H2 population following formation from H minus

Definition at line 986 of file mole_h2_io.cpp.

References ASSERT, BadRead(), cdEXIT, t_input::chDelimiter, DEBUG_ENTRY, EXIT_FAILURE, FFmtRead(), FILENAME_PATH_LENGTH_2, H2_X_hminus_formation_distribution, input, ioQQQ, Jlowest, nRot_hi, nTE_HMINUS, nVib_hi, open_data(), path, and read_whole_line().

Referenced by init().

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void diatomics::H2_ReadDissocEnergies ( void )

Definition at line 831 of file mole_h2_io.cpp.

References ASSERT, cdEXIT, t_input::chDelimiter, DEBUG_ENTRY, EXIT_FAILURE, FFmtRead(), FILENAME_PATH_LENGTH_2, H2_DissocEnergies, input, ioQQQ, N_ELEC, open_data(), path, and read_whole_line().

Referenced by init().

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void diatomics::H2_ReadDissprob ( long int nelec )

read dissociation probabilities and kinetic energies for all electronic levels

Parameters

nelec

Definition at line 895 of file mole_h2_io.cpp.

References ASSERT, cdEXIT, t_input::chDelimiter, DEBUG_ENTRY, EXIT_FAILURE, FFmtRead(), FILENAME_PATH_LENGTH_2, H2_disske, H2_dissprob, input, ioQQQ, Jlowest, N_ELEC, nRot_hi, nVib_hi, open_data(), path, and read_whole_line().

Referenced by init().

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void diatomics::H2_ReadEnergies ( )

Definition at line 674 of file mole_h2_io.cpp.

References ASSERT, qList::begin(), DEBUG_ENTRY, qList::end(), Jlowest, label, MAX2, n_elec_states, nLevels_per_elec, nRot_hi, nVib_hi, qList::resize(), qList::size(), and states.

Referenced by init().

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void diatomics::H2_ReadEnergies	(	long int	nelec,
		vector< int > &	n,
		vector< int > &	v,
		vector< int > &	J,
		vector< double > &	eWN
	)

Definition at line 739 of file mole_h2_io.cpp.

References ASSERT, cdEXIT, t_input::chDelimiter, DEBUG_ENTRY, EXIT_FAILURE, FFmtRead(), FILENAME_PATH_LENGTH_2, input, ioQQQ, Jlowest, MAX2, MIN2, N_ELEC, nLevels_per_elec, nVib_hi, open_data(), path, and read_whole_line().

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void diatomics::H2_ReadTransprob	(	long int	nelec,
		TransitionList &	trans
	)

read transition probabilities

Parameters

nelec

Definition at line 430 of file mole_h2_io.cpp.

References ASSERT, cdEXIT, t_input::chDelimiter, DEBUG_ENTRY, TransitionList::Emis(), EXIT_FAILURE, FFmtRead(), FILENAME_PATH_LENGTH_2, input, ioQQQ, ipEnergySort, ipTransitionSort, lgH2_radiative, N_ELEC, n_trace_full, nRot_hi, nTRACE, nVib_hi, open_data(), path, read_whole_line(), ShowMe(), and states.

Referenced by init().

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void diatomics::H2_Reset ( void )

H2_Reset called to reset variables that are needed after an iteration

Definition at line 274 of file mole_h2_etc.cpp.

References DEBUG_ENTRY, fnzone, H2_SaveLine, ioQQQ, iteration, iterationAsEval, lgEvaluated, n_elec_states, nCall_this_iteration, nElecLevelOutput, nH2_pops, nH2_zone, nTRACE, nzone_nlevel_set, nzoneAsEval, renorm_max, renorm_min, TeUsedBoltz, TeUsedColl, and multi_arr< T, d, ALLOC, lgBC >::zero().

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void diatomics::H2_RT_diffuse ( void )

do emission from H2 - called from RT_diffuse

Definition at line 345 of file mole_h2.cpp.

References TransitionList::begin(), DEBUG_ENTRY, lgEnabled, nCall_this_zone, rad_end, and trans.

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void diatomics::H2_RT_OTS ( void )

H2_RT_OTS - add H2 ots fields

Definition at line 2412 of file mole_h2.cpp.

References TransitionList::begin(), DEBUG_ENTRY, lgEnabled, nCall_this_zone, rad_end, RT_OTS_AddLine(), and trans.

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void diatomics::H2_RT_tau_inc ( void )

increment optical depth for the H2 molecule, called from RT_tau_inc

Definition at line 386 of file mole_h2.cpp.

References ASSERT, TransitionList::begin(), DEBUG_ENTRY, GetDopplerWidth(), H2_renorm_chemistry, lgEnabled, mass_amu, MAX2, MIN2, nCall_this_iteration, nzone, rad_end, renorm_max, renorm_min, RT_line_one_tauinc(), and trans.

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void diatomics::H2_RT_tau_reset ( void )

the large H2 molecule, called from RT_tau_reset

Definition at line 432 of file mole_h2.cpp.

References TransitionList::begin(), DEBUG_ENTRY, lgEnabled, rad_end, RT_line_one_tau_reset(), and trans.

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void diatomics::H2_RTMake ( void )

do RT for H2 lines

Definition at line 364 of file mole_h2.cpp.

References TransitionList::begin(), DEBUG_ENTRY, GetDopplerWidth(), lgEnabled, mass_amu, rad_end, RT_line_one(), and trans.

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void diatomics::H2_Solomon_rate ( void )

H2_Solomon_rate find rates between H2s and H2g and other levels, for use in the chemistry

Definition at line 24 of file mole_h2_etc.cpp.

References TransitionList::begin(), DEBUG_ENTRY, dense_total, ENERGY_H2_STAR, GetExcitedElecDensity(), H2_den_g, H2_den_s, H2_dissprob, H2_rad_rate_out, hmi, t_hmi::lgLeiden_Keep_ipMH2s, rad_end, SDIV(), SMALLFLOAT, Solomon_dissoc_rate_g, Solomon_dissoc_rate_s, Solomon_elec_decay_g, Solomon_elec_decay_s, and trans.

Referenced by H2_LevelPops().

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void diatomics::H2_X_coll_rate_evaluate ( void )

Definition at line 175 of file mole_h2.cpp.

References ASSERT, multi_arr< T, d, ALLOC, lgBC >::begin(), collider_density, CollRate, CollRateCoeff, DEBUG_ENTRY, molezone::den, dense, findspecieslocal(), fp_equal(), h2, t_hmi::H2_total_f, H2_X_coll_rate, hmi, ioQQQ, ipHELIUM, ipHYDROGEN, lgColl_deexec_Calc, n_trace_full, N_X_COLLIDER, nLevels_per_elec, nTRACE, ortho_density_f, para_density_f, t_dense::xIonDense, and multi_arr< T, d, ALLOC, lgBC >::zero().

Referenced by H2_LevelPops().

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void diatomics::H2_X_sink_and_source ( void )

Definition at line 54 of file mole_h2.cpp.

References ASSERT, collider_density, collider_density_total_not_H2, Cont_Dissoc_Rate, DEBUG_ENTRY, dense, dense_total, t_dense::eden, ENERGY_H2_STAR, fixit(), t_rfield::flux_accum, H2_coll_dissoc_rate_coef, H2_coll_dissoc_rate_coef_H2, H2_den_s, H2_DISS_ALLISON_DALGARNO, H2_ipPhoto, H2_populations_LTE, t_hmi::H2_total, H2_X_formation, H2_X_Hmin_back, H2_X_sink, H2_X_source, hmi, ipRot_H2_energy_sort, ipVib_H2_energy_sort, lgColl_deexec_Calc, t_hmi::lgLeiden_Keep_ipMH2s, t_mole_global::lgStancil, mole, mole_global, nLevels_per_elec, rfield, t_mole_local::sink_rate_tot(), t_mole_local::source_rate_tot(), sp, sp_star, spon_diss_tot, and states.

Referenced by H2_LevelPops().

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void diatomics::H2_zero_pops_too_low ( void )

H2_zero_pops_too_low - zero out some H2 variables if we decide not to compute the full sim, called by H2_LevelPops

Definition at line 187 of file mole_h2_etc.cpp.

References qList::begin(), TransitionList::begin(), DEBUG_ENTRY, qList::end(), g, H2_old_populations, H2_populations_LTE, HeatDexc, HeatDexc_deriv, HeatDiss, N_ELEC, photodissoc_BigH2_H2g, photodissoc_BigH2_H2s, pops_per_elec, pops_per_vib, rad_end, Solomon_dissoc_rate_g, Solomon_dissoc_rate_s, states, trans, and multi_arr< T, d, ALLOC, lgBC >::zero().

Referenced by H2_LevelPops().

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void diatomics::init ( void )

create H2 molecules, called by ContCreatePointers

Todo:: 1 add this as a Lya excitation process

Todo:: 2 put supra thermal excitation into excitation of electronic bands

Definition at line 111 of file mole_h2_create.cpp.

References abscf(), multi_arr< T, d, ALLOC, lgBC >::alloc(), AllTransitions, ASSERT, ATOMIC_MASS_UNIT, qList::begin(), TransitionList::begin(), BIGFLOAT, cdEXIT, t_hmi::chGrainFormPump, multi_arr< T, d, ALLOC, lgBC >::clone(), CollRateCoeff, CollRateErrFac, compareEmis(), DEBUG_ENER, DEBUG_ENTRY, EH2_eval(), EN1EV, qList::end(), TransitionList::end(), ENERGY_H2_STAR, energy_off, EXIT_FAILURE, EXIT_SUCCESS, findspecies(), fixit(), g, GetGF(), H2_Boltzmann, H2_col_rate_in, H2_col_rate_out, H2_coll_dissoc_rate_coef, H2_coll_dissoc_rate_coef_H2, H2_CollidRateRead(), H2_disske, H2_DissocEnergies, H2_dissprob, H2_ipPhoto, H2_lgOrtho, H2_nRot_add_ortho_para, H2_old_populations, H2_populations_LTE, H2_rad_rate_in, H2_rad_rate_out, H2_Read_hminus_distribution(), H2_ReadDissocEnergies(), H2_ReadDissprob(), H2_ReadEnergies(), H2_ReadTransprob(), H2_SaveLine, H2_stat, H2_TOP, H2_vib_dist(), H2_X_colden, H2_X_colden_LTE, H2_X_coll_rate, H2_X_formation, H2_X_grain_formation_distribution, H2_X_Hmin_back, H2_X_hminus_formation_distribution, H2_X_rate_from_elec_excited, H2_X_rate_to_elec_excited, H2_X_sink, H2_X_source, hmi, HPLANCK, molecule::index, ioQQQ, ipCRDW, ipElec_H2_energy_sort, ipEnergySort, ipH2, ipNCOLLIDER, ipoint(), ipRot_H2_energy_sort, ipTransitionSort, ipVib_H2_energy_sort, is_odd(), Jlowest, label, lgEnabled, lgH2_NOISE, lgH2_radiative, t_hmi::lgLeiden_Keep_ipMH2s, lgRadiative(), lgREAD_DATA, t_mole_global::lgStancil, mass_amu, mole, mole_global, molecule::mole_mass, n_elec_states, n_trace_full, N_X_COLLIDER, nEner_H2_ground, nLevels_per_elec, nRot_hi, nTE_HMINUS, nTRACE, null_mole, nVib_hi, nXLevelsMatrix, opac, PI, PI4, pops_per_vib, POW2, pow3(), rad_end, RandGauss(), RateCoefTable, Read_Mol_Diss_cross_sections(), RefIndex(), multi_arr< T, d, ALLOC, lgBC >::reserve(), qList::resize(), TransitionList::resize(), sexp(), shortlabel, qList::size(), TransitionList::size(), SMALLFLOAT, sp, sp_star, t_mole_local::species, TransitionList::states(), states, t_opac::taumin, TotalInsanity(), trans, WAVNRYD, xMeanNoise, xSTDNoise, and multi_arr< T, d, ALLOC, lgBC >::zero().

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void diatomics::Mol_Photo_Diss_Rates ( void )

Definition at line 148 of file mole_dissociate.cpp.

References ASSERT, Cont_Dissoc_Rate, Cont_Dissoc_Rate_H2g, Cont_Dissoc_Rate_H2s, DEBUG_ENTRY, Diss_Trans, ENERGY_H2_STAR, GetDissociationRateCoeff(), H2_den_g, H2_den_s, hmi, ipEnergySort, lgEnabled, t_hmi::lgLeiden_Keep_ipMH2s, t_mole_global::lgStancil, mole_global, SDIV(), states, and multi_arr< T, d, ALLOC, lgBC >::zero().

Referenced by Cont_Diss_Heat_Rate().

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double diatomics::MolDissocOpacity	(	const diss_tran &	tran,
		const double &	Mol_Ene
	)

Definition at line 112 of file mole_dissociate.cpp.

References cross_section(), DEBUG_ENTRY, diss_tran::initial, ipEnergySort, diss_level::j, MolDissocCrossSection(), diss_level::n, states, and diss_level::v.

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void diatomics::mole_H2_form ( void )

mole_H2_form find state specific rates grains and H- form H2

Definition at line 15 of file mole_h2_form.cpp.

References t_phycon::alogte, ASSERT, GrainVar::bin, DEBUG_ENTRY, molezone::den, dense, deut, t_dense::eden, ENERGY_H2_STAR, t_mole_local::findrk(), findspecieslocal(), fixit(), fp_equal_tol(), t_deuterium::gas_phase, t_dense::gas_phase, gv, h2, t_hmi::H2_forms_grains, t_hmi::H2_forms_hminus, H2_logte_hminus, H2_X_formation, H2_X_grain_formation_distribution, H2_X_Hmin_back, H2_X_hminus_formation_distribution, t_hmi::H2star_forms_grains, t_hmi::H2star_forms_hminus, hd, hmi, ipEnergySort, ipH2, ipHYDROGEN, Jlowest, t_hmi::lgLeiden_Keep_ipMH2s, mole, nRot_hi, nTE_HMINUS, nVib_hi, phycon, GrainVar::rate_h2_form_grains_used_total, SMALLFLOAT, states, GrainVar::which_H2distr, and t_dense::xIonDense.

Referenced by H2_LevelPops().

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void diatomics::mole_H2_LTE ( void )

mole_H2_LTE sets Boltzmann factors and LTE unit population of large H2 molecular

Definition at line 228 of file mole_h2_etc.cpp.

References ASSERT, qList::begin(), DEBUG_ENTRY, qList::end(), fp_equal(), H2_Boltzmann, H2_populations_LTE, ioQQQ, n_trace_full, nTRACE, phycon, sexp(), states, t_phycon::te, and TeUsedBoltz.

Referenced by H2_LevelPops().

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long diatomics::OpacityCreate ( double * stack )

Definition at line 166 of file mole_h2_etc.cpp.

References t_rfield::AnuOrg, ASSERT, DEBUG_ENTRY, ip_photo_opac_offset, ip_photo_opac_thresh, t_rfield::nupper, photoion_opacity_fun, and rfield.

void diatomics::Read_Mol_Diss_cross_sections ( void )

Definition at line 15 of file mole_dissociate.cpp.

References multi_arr< T, d, ALLOC, lgBC >::alloc(), ASSERT, Cont_Dissoc_Rate, DEBUG_ENTRY, Diss_Trans, FILENAME_PATH_LENGTH_2, lgEnabled, n_elec_states, nRot_hi, nVib_hi, open_data(), read_whole_line(), multi_arr< T, d, ALLOC, lgBC >::reserve(), and WAVNRYD.

Referenced by init().

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void diatomics::set_numLevelsMatrix ( long numLevels )

Definition at line 1996 of file mole_h2_io.cpp.

References lgREAD_DATA, and nXLevelsMatrix.

Referenced by ParseAtomH2().

void diatomics::SolveExcitedElectronicLevels ( void )

Definition at line 1914 of file mole_h2.cpp.

References multi_arr< T, d, ALLOC, lgBC >::alloc(), ASSERT, qList::begin(), TransitionList::begin(), multi_arr< T, d, ALLOC, lgBC >::begin(), multi_arr< T, d, ALLOC, lgBC >::clone(), DEBUG_ENTRY, dense_total, qList::end(), multi_arr< T, d, ALLOC, lgBC >::end(), fixit(), g, H2_den_s, H2_dissprob, H2_lgOrtho, H2_old_populations, H2_rad_rate_in, H2_rad_rate_out, H2_X_rate_from_elec_excited, H2_X_rate_to_elec_excited, hmi, ioQQQ, t_hmi::lgLeidenCRHack, n_elec_states, n_trace_full, nTRACE, pops_per_elec, pops_per_vib, rad_end, SDIV(), secondaries, spon_diss_tot, states, trans, t_secondaries::x12tot, and multi_arr< T, d, ALLOC, lgBC >::zero().

Referenced by H2_LevelPops().

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void diatomics::SolveSomeGroundElectronicLevels ( void )

Definition at line 2025 of file mole_h2.cpp.

References ASSERT, TransitionList::begin(), DEBUG_ENTRY, fp_equal(), g, H2_Boltzmann, H2_col_rate_in, H2_col_rate_out, H2_lgOrtho, H2_old_populations, H2_rad_rate_in, H2_rad_rate_out, H2_stat, H2_X_coll_rate, H2_X_sink, H2_X_source, hmi, ipElec_H2_energy_sort, ipRot_H2_energy_sort, ipTransitionSort, ipVib_H2_energy_sort, t_hmi::lgLeidenCRHack, nLevels_per_elec, nXLevelsMatrix, rate_grain_J1_to_J0, rate_grain_op_conserve, SDIV(), secondaries, states, trans, t_secondaries::x12tot, and multi_arr< T, d, ALLOC, lgBC >::zero().

Referenced by H2_LevelPops().

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Field Documentation

double ** diatomics::AulDest

private

Definition at line 694 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

double** diatomics::AulEscp

private

Definition at line 694 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

double ** diatomics::AulPump

private

Definition at line 694 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

double diatomics::Average_A

Average Einstein A for H2s to H2g transition

Definition at line 293 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

double diatomics::Average_collH2_deexcit

Average noreactive collisional rate for H2s to H2g transition

Definition at line 295 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

double diatomics::Average_collH2_dissoc_g

Definition at line 302 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::Average_collH2_dissoc_s

Definition at line 303 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::Average_collH2_excit

Definition at line 297 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

double diatomics::Average_collH_deexcit

Definition at line 296 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

double diatomics::Average_collH_dissoc_g

Average collisional dissociation of H2g and H2s by H and H2

Definition at line 300 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::Average_collH_dissoc_s

Definition at line 301 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::Average_collH_excit

Definition at line 298 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

double diatomics::average_energy_g

average energy level of H2g and H2s

Definition at line 283 of file h2_priv.h.

Referenced by H2_LevelPops(), and H2_PunchDo().

double diatomics::average_energy_s

Definition at line 284 of file h2_priv.h.

Referenced by H2_LevelPops(), and H2_PunchDo().

char diatomics::chH2ColliderLabels[N_X_COLLIDER][chN_X_COLLIDER]

private

Definition at line 588 of file h2_priv.h.

Referenced by diatomics(), and H2_ParseSave().

double ** diatomics::col_str

private

Definition at line 694 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

t_coll_source diatomics::coll_source[N_X_COLLIDER]

Definition at line 313 of file h2_priv.h.

Referenced by diatoms_init(), H2_CollidRateRead(), ParseAtomH2(), and ParseSet().

double ** diatomics::CollRate_levn

private

Definition at line 694 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

multi_arr<realnum,3> diatomics::CollRateCoeff

private

Definition at line 618 of file h2_priv.h.

Referenced by H2_Calc_Average_Rates(), H2_CollidRateEvalAll(), H2_Cooling(), H2_PunchDo(), H2_X_coll_rate_evaluate(), and init().

multi_arr<realnum,3> diatomics::CollRateErrFac

private

Definition at line 619 of file h2_priv.h.

Referenced by H2_CollidRateEvalOne(), and init().

multi_arr<double,3> diatomics::Cont_Dissoc_Rate

Definition at line 276 of file h2_priv.h.

Referenced by H2_X_sink_and_source(), Mol_Photo_Diss_Rates(), and Read_Mol_Diss_cross_sections().

double diatomics::Cont_Dissoc_Rate_H2g

Definition at line 275 of file h2_priv.h.

Referenced by Mol_Photo_Diss_Rates(), and mole_h_reactions().

double diatomics::Cont_Dissoc_Rate_H2s

H2 continuum photodissociation rate coefficient (not scaled by density) from P.C. Stancil data

Definition at line 274 of file h2_priv.h.

Referenced by Mol_Photo_Diss_Rates(), and mole_h_reactions().

vector<double> diatomics::create

private

Definition at line 699 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

const double* const diatomics::dense_total

private

Definition at line 586 of file h2_priv.h.

Referenced by Abund(), H2_Colden(), H2_Level_low_matrix(), H2_LevelPops(), H2_Prt_Zone(), H2_PunchDo(), H2_Solomon_rate(), H2_X_sink_and_source(), and SolveExcitedElectronicLevels().

vector<double> diatomics::depart

private

Definition at line 699 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), and H2_PrtDepartCoef().

vector<double> diatomics::destroy

private

Definition at line 699 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

vector< diss_tran > diatomics::Diss_Trans

Definition at line 565 of file h2_priv.h.

Referenced by Cont_Diss_Heat_Rate(), Mol_Photo_Diss_Rates(), and Read_Mol_Diss_cross_sections().

const double diatomics::ENERGY_H2_STAR

this is the energy (in cm-1), above which levels are considered to be H2*, and below which they are H2

Definition at line 582 of file h2_priv.h.

Referenced by H2_Calc_Average_Rates(), H2_LevelPops(), H2_Solomon_rate(), H2_X_sink_and_source(), init(), t_mole_global::make_species(), Mol_Photo_Diss_Rates(), and mole_H2_form().

vector<double> diatomics::excit

private

Definition at line 699 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

double diatomics::frac_matrix

Definition at line 409 of file h2_priv.h.

Referenced by H2_LevelPops().

multi_arr<double,3> diatomics::H2_Boltzmann

private

Definition at line 635 of file h2_priv.h.

Referenced by H2_Calc_Average_Rates(), H2_Cooling(), H2_Level_low_matrix(), H2_LevelPops(), init(), mole_H2_LTE(), and SolveSomeGroundElectronicLevels().

multi_arr<double,2> diatomics::H2_col_rate_in

private

Definition at line 648 of file h2_priv.h.

Referenced by H2_PunchDo(), init(), and SolveSomeGroundElectronicLevels().

multi_arr<double,2> diatomics::H2_col_rate_out

private

Definition at line 649 of file h2_priv.h.

Referenced by H2_PunchDo(), init(), and SolveSomeGroundElectronicLevels().

multi_arr<realnum,2> diatomics::H2_coll_dissoc_rate_coef

private

save rate coef (cm3 s-1) for collisional dissociation

Definition at line 665 of file h2_priv.h.

Referenced by H2_CollidRateEvalAll(), H2_LevelPops(), H2_X_sink_and_source(), and init().

multi_arr<realnum,2> diatomics::H2_coll_dissoc_rate_coef_H2

private

save rate coef (cm3 s-1) for collisional dissociation with H2g and H2s

Definition at line 668 of file h2_priv.h.

Referenced by H2_CollidRateEvalAll(), H2_LevelPops(), H2_X_sink_and_source(), and init().

double diatomics::H2_den_g

private

Definition at line 679 of file h2_priv.h.

Referenced by gs_rate(), H2_LevelPops(), H2_PunchDo(), H2_Solomon_rate(), and Mol_Photo_Diss_Rates().

double diatomics::H2_den_s

private

density of H2s and H2g during current iteration

Definition at line 679 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_PunchDo(), H2_Solomon_rate(), H2_X_sink_and_source(), Mol_Photo_Diss_Rates(), and SolveExcitedElectronicLevels().

multi_arr<realnum,3> diatomics::H2_disske

private

Definition at line 630 of file h2_priv.h.

Referenced by H2_Cooling(), H2_ReadDissprob(), and init().

double diatomics::H2_DissocEnergies[N_ELEC]

private

Definition at line 606 of file h2_priv.h.

Referenced by H2_CollidRateEvalAll(), H2_LevelPops(), H2_ReadDissocEnergies(), and init().

multi_arr<realnum,3> diatomics::H2_dissprob

private

these will mostly become xxx[elec][vib][rot]

Definition at line 629 of file h2_priv.h.

Referenced by gs_rate(), H2_Cooling(), H2_ReadDissprob(), H2_Solomon_rate(), init(), and SolveExcitedElectronicLevels().

multi_arr<int,2> diatomics::H2_ipPhoto

private

Definition at line 647 of file h2_priv.h.

Referenced by H2_X_sink_and_source(), and init().

multi_arr<bool,3> diatomics::H2_lgOrtho

private

this is true if state is para, false if ortho

Definition at line 640 of file h2_priv.h.

Referenced by getLine(), H2_Calc_Average_Rates(), H2_CollidRateEvalOne(), H2_Level_low_matrix(), H2_LevelPops(), H2_PunchDo(), init(), SolveExcitedElectronicLevels(), and SolveSomeGroundElectronicLevels().

multi_arr<double,3> diatomics::H2_old_populations

private

these will mostly become xxx[elec][vib][rot]

Definition at line 634 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_PunchDo(), H2_zero_pops_too_low(), init(), SolveExcitedElectronicLevels(), and SolveSomeGroundElectronicLevels().

multi_arr<double,3> diatomics::H2_populations_LTE

private

Definition at line 636 of file h2_priv.h.

Referenced by H2_Colden(), H2_LevelPops(), H2_PunchDo(), H2_X_sink_and_source(), H2_zero_pops_too_low(), init(), and mole_H2_LTE().

multi_arr<double,2> diatomics::H2_rad_rate_in

private

Definition at line 650 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_PunchDo(), init(), SolveExcitedElectronicLevels(), and SolveSomeGroundElectronicLevels().

multi_arr<double,3> diatomics::H2_rad_rate_out

private

Definition at line 631 of file h2_priv.h.

Referenced by gs_rate(), H2_LevelPops(), H2_PunchDo(), H2_Solomon_rate(), init(), SolveExcitedElectronicLevels(), and SolveSomeGroundElectronicLevels().

double diatomics::H2_renorm_chemistry

private

the renorm factor for this H2 to the chemistry - should be unity

Definition at line 600 of file h2_priv.h.

Referenced by H2_Cooling(), H2_LevelPops(), H2_PunchDo(), and H2_RT_tau_inc().

multi_arr<realnum,6> diatomics::H2_SaveLine

private

this is array of accumulated line intensities, used for save he lines command

Definition at line 707 of file h2_priv.h.

Referenced by getLine(), H2_LinesAdd(), H2_PunchDo(), H2_Reset(), and init().

multi_arr<realnum,3> diatomics::H2_stat

private

this is total statistical weight, including nuclear spin

Definition at line 638 of file h2_priv.h.

Referenced by H2_Calc_Average_Rates(), H2_Cooling(), H2_Level_low_matrix(), H2_LevelPops(), H2_PunchDo(), init(), and SolveSomeGroundElectronicLevels().

double diatomics::H2_to_H_limit

limit to the ratio H2/Htot - if ratio is below this, large atom is not called

Definition at line 391 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), and ParseAtomH2().

multi_arr<realnum,2> diatomics::H2_X_colden

private

column density within X only vib and rot

Definition at line 657 of file h2_priv.h.

Referenced by GetXColden(), H2_Colden(), H2_Prt_column_density(), H2_PunchDo(), and init().

multi_arr<realnum,2> diatomics::H2_X_colden_LTE

private

LTE column density within X only vib and rot

Definition at line 659 of file h2_priv.h.

Referenced by H2_Colden(), H2_PunchDo(), and init().

multi_arr<realnum,2> diatomics::H2_X_coll_rate

private

rate [s-1] for collisions from ihi to ilo

Definition at line 603 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), H2_X_coll_rate_evaluate(), init(), and SolveSomeGroundElectronicLevels().

multi_arr<realnum,2> diatomics::H2_X_formation

private

formation into specific states within X only vib and rot, includes both H- and H2 routes

Definition at line 653 of file h2_priv.h.

Referenced by H2_X_sink_and_source(), init(), and mole_H2_form().

multi_arr<realnum,3> diatomics::H2_X_grain_formation_distribution

private

distribution function for formation on grain surfaces, vib, rot, last dim is grain type

Definition at line 676 of file h2_priv.h.

Referenced by init(), and mole_H2_form().

multi_arr<realnum,2> diatomics::H2_X_Hmin_back

private

backwards destruction of v,J levels due to the H- route

Definition at line 655 of file h2_priv.h.

Referenced by H2_X_sink_and_source(), init(), and mole_H2_form().

multi_arr<realnum,3> diatomics::H2_X_hminus_formation_distribution

private

vib, rot, last dim is temperature

Definition at line 682 of file h2_priv.h.

Referenced by H2_Read_hminus_distribution(), init(), and mole_H2_form().

multi_arr<double,2> diatomics::H2_X_rate_from_elec_excited

private

rates [cm-3 s-1] from elec excited states into X only vib and rot

Definition at line 661 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), H2_LevelPops(), init(), and SolveExcitedElectronicLevels().

multi_arr<double,2> diatomics::H2_X_rate_to_elec_excited

private

rates [s-1] to elec excited states from X only vib and rot

Definition at line 663 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), H2_LevelPops(), init(), and SolveExcitedElectronicLevels().

valarray<realnum> diatomics::H2_X_sink

private

Definition at line 672 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), H2_X_sink_and_source(), init(), and SolveSomeGroundElectronicLevels().

valarray<realnum> diatomics::H2_X_source

private

Definition at line 671 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), H2_X_sink_and_source(), init(), and SolveSomeGroundElectronicLevels().

double diatomics::HeatChange

Definition at line 290 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::HeatChangeOld

Definition at line 290 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::HeatDexc

Definition at line 287 of file h2_priv.h.

Referenced by CoolEvaluate(), diatomics(), H2_Cooling(), H2_LevelPops(), H2_PunchDo(), H2_zero_pops_too_low(), and radius_first().

double diatomics::HeatDexc_deriv

Definition at line 289 of file h2_priv.h.

Referenced by CoolEvaluate(), diatomics(), H2_Cooling(), and H2_zero_pops_too_low().

double diatomics::HeatDexc_old

Definition at line 288 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::HeatDiss

Definition at line 286 of file h2_priv.h.

Referenced by CoolEvaluate(), diatomics(), H2_Cooling(), H2_PunchDo(), and H2_zero_pops_too_low().

long diatomics::ip_photo_opac_offset

Definition at line 311 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), OpacityAddTotal(), and OpacityCreate().

long diatomics::ip_photo_opac_thresh

index for threshold for photoionization

Definition at line 310 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), OpacityAddTotal(), and OpacityCreate().

valarray<long> diatomics::ipElec_H2_energy_sort

private

Definition at line 685 of file h2_priv.h.

Referenced by H2_LevelPops(), init(), and SolveSomeGroundElectronicLevels().

multi_arr<long int,3> diatomics::ipEnergySort

private

Definition at line 687 of file h2_priv.h.

Referenced by GetDissociationRate(), GetHeatRate(), GetIndices(), getLine(), gs_rate(), H2_Calc_Average_Rates(), H2_LevelPops(), H2_LinesAdd(), H2_Prt_Zone(), H2_PrtDepartCoef(), H2_PunchDo(), H2_ReadTransprob(), init(), Mol_Photo_Diss_Rates(), MolDissocOpacity(), and mole_H2_form().

valarray<long> diatomics::ipRot_H2_energy_sort

private

Definition at line 686 of file h2_priv.h.

Referenced by H2_CollidRateEvalAll(), H2_Cooling(), H2_Level_low_matrix(), H2_LevelPops(), H2_PunchDo(), H2_X_sink_and_source(), init(), and SolveSomeGroundElectronicLevels().

multi_arr<long int,2> diatomics::ipTransitionSort

private

Definition at line 688 of file h2_priv.h.

Referenced by gs_rate(), H2_Calc_Average_Rates(), H2_Level_low_matrix(), H2_LinesAdd(), H2_PunchDo(), H2_ReadTransprob(), init(), and SolveSomeGroundElectronicLevels().

valarray<long> diatomics::ipVib_H2_energy_sort

private

Definition at line 684 of file h2_priv.h.

Referenced by H2_CollidRateEvalAll(), H2_Cooling(), H2_Level_low_matrix(), H2_LevelPops(), H2_PunchDo(), H2_X_sink_and_source(), init(), and SolveSomeGroundElectronicLevels().

long int diatomics::iteration_evaluated

private

Definition at line 704 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

long int diatomics::iterationAsEval

private

Definition at line 643 of file h2_priv.h.

Referenced by diatomics(), H2_Level_low_matrix(), and H2_Reset().

long int diatomics::Jlowest[N_ELEC]

private

this gives the first rotational state for each electronic state - J=0 does not exist when Lambda = 1

Definition at line 613 of file h2_priv.h.

Referenced by GetIndices(), gs_rate(), H2_PrtDepartCoef(), H2_PunchDo(), H2_Read_hminus_distribution(), H2_ReadDissprob(), H2_ReadEnergies(), init(), and mole_H2_form().

string diatomics::label

private

Definition at line 568 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalAll(), H2_ContPoint(), H2_LevelPops(), H2_LinesAdd(), H2_Prt_Zone(), H2_PrtDepartCoef(), H2_ReadEnergies(), and init().

long int diatomics::levelAsEval

private

Definition at line 701 of file h2_priv.h.

Referenced by diatomics(), and H2_Level_low_matrix().

bool diatomics::lgColl_deexec_Calc

this is option to turn off the calculated collision rates

Definition at line 356 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalOne(), H2_X_coll_rate_evaluate(), H2_X_sink_and_source(), and ParseAtomH2().

bool diatomics::lgColl_dissoc_coll

this is option to turn off guesses of collisional dissociation rates

Definition at line 359 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalAll(), and ParseAtomH2().

bool diatomics::lgColl_gbar

this is option to use estimates of the collision rates from g-bar approximations turn mole.lgColl_gbar on/off with atom h2 gbar on off

Definition at line 353 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalOne(), and ParseAtomH2().

bool diatomics::lgEnabled

bool diatomics::lgEvaluated

says whether model has ever been evaluated in this run - if it has not been then use TH85 physics for mole balance and cooling

Definition at line 307 of file h2_priv.h.

Referenced by CoolEvaluate(), diatomics(), frac_H2star_hminus(), H2_LevelPops(), H2_PunchDo(), H2_Reset(), mole_h_reactions(), and radius_first().

bool diatomics::lgFirst

private

Definition at line 702 of file h2_priv.h.

Referenced by diatomics(), and H2_Level_low_matrix().

bool diatomics::lgH2_grain_deexcitation

Definition at line 363 of file h2_priv.h.

Referenced by diatomics(), mole_h2_grain_form(), and ParseAtomH2().

bool diatomics::lgH2_H_coll_07

Definition at line 349 of file h2_priv.h.

Referenced by diatomics(), and ParseSet().

bool diatomics::lgH2_He_ORNL

Definition at line 373 of file h2_priv.h.

Referenced by diatomics(), ParseAtomH2(), and ParseSet().

bool diatomics::lgH2_NOISE

put noise into collision rates

Definition at line 380 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalOne(), init(), and ParseAtomH2().

bool diatomics::lgH2_NOISECOSMIC

noise for the CR collisions

Definition at line 382 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

bool diatomics::lgH2_ORH2_ORNL

Definition at line 376 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

bool diatomics::lgH2_ortho_para_coll_on

option to turn off ortho-para collisions, command ATOM H2 COLLISIONS ORTHO PARA OFF

Definition at line 369 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalOne(), and ParseAtomH2().

bool diatomics::lgH2_PAH2_ORNL

Definition at line 377 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

multi_arr<bool,2> diatomics::lgH2_radiative

private

fully defined array saying whether (true) or not (false) a radiative decay is defined by the standard emission line structure

Definition at line 711 of file h2_priv.h.

Referenced by getLine(), gs_rate(), H2_Calc_Average_Rates(), H2_Level_low_matrix(), H2_PunchDo(), H2_ReadTransprob(), and init().

bool diatomics::lgLTE

flag to force LTE level populations, atom H2 LTE

Definition at line 366 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), and ParseAtomH2().

bool diatomics::lgREAD_DATA

flag saying whether molecular data have been read in yet

Definition at line 249 of file h2_priv.h.

Referenced by diatomics(), init(), ParseAtomH2(), and set_numLevelsMatrix().

long int diatomics::loop_h2_oscil

Definition at line 384 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

realnum diatomics::mass_amu

Definition at line 393 of file h2_priv.h.

Referenced by H2_RadPress(), H2_RT_tau_inc(), H2_RTMake(), and init().

long int diatomics::n_elec_states

Definition at line 406 of file h2_priv.h.

Referenced by diatomics(), GetExcitedElecDensity(), gs_rate(), H2_PrtDepartCoef(), H2_ReadEnergies(), H2_Reset(), init(), ParseAtomH2(), Read_Mol_Diss_cross_sections(), and SolveExcitedElectronicLevels().

int diatomics::n_trace_final

this sets how fine a trace we want for atom h2 trace

Definition at line 399 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), and ParseAtomH2().

int diatomics::n_trace_full

Definition at line 399 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalAll(), H2_Cooling(), H2_Level_low_matrix(), H2_LevelPops(), H2_RadPress(), H2_ReadTransprob(), H2_X_coll_rate_evaluate(), init(), mole_H2_LTE(), ParseAtomH2(), and SolveExcitedElectronicLevels().

int diatomics::n_trace_iterations

Definition at line 399 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), and ParseAtomH2().

int diatomics::n_trace_matrix

Definition at line 399 of file h2_priv.h.

Referenced by diatomics(), H2_Level_low_matrix(), and ParseAtomH2().

long int diatomics::nCall_this_iteration

private

the number of times the H2 molecules has been called in this iteration. For the very first call we will use lte for the level populations, for later calls use the last solution

Definition at line 723 of file h2_priv.h.

Referenced by H2_Cooling(), H2_LevelPops(), H2_Reset(), and H2_RT_tau_inc().

long int diatomics::nCall_this_zone

Definition at line 338 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), H2_Prt_column_density(), H2_Prt_Zone(), H2_PrtDepartCoef(), H2_PunchDo(), H2_RadPress(), H2_RT_diffuse(), and H2_RT_OTS().

long int diatomics::ndimMalloced

private

Definition at line 693 of file h2_priv.h.

Referenced by diatomics(), and H2_Level_low_matrix().

int diatomics::nElecLevelOutput

Definition at line 346 of file h2_priv.h.

Referenced by diatomics(), H2_LinesAdd(), H2_ParseSave(), H2_PunchDo(), H2_Reset(), and ParsePrint().

long int diatomics::nEner_H2_ground

private

number of levels in H2g

Definition at line 594 of file h2_priv.h.

Referenced by gs_rate(), and init().

long int diatomics::nH2_pops

private

counters used by H2_itrzn to find number of calls of h2 per zone

Definition at line 714 of file h2_priv.h.

Referenced by diatomics(), H2_itrzn(), H2_LevelPops(), and H2_Reset().

long int diatomics::nH2_zone

private

Definition at line 715 of file h2_priv.h.

Referenced by diatomics(), H2_itrzn(), H2_LevelPops(), and H2_Reset().

long int diatomics::nLevels_per_elec[N_ELEC]

private

the number of ro-vib levels in each elec state

Definition at line 615 of file h2_priv.h.

Referenced by H2_CollidRateEvalAll(), H2_CollidRateRead(), H2_Cooling(), H2_Level_low_matrix(), H2_LevelPops(), H2_PunchDo(), H2_ReadEnergies(), H2_X_coll_rate_evaluate(), H2_X_sink_and_source(), init(), and SolveSomeGroundElectronicLevels().

valarray<long> diatomics::nRot_hi[N_ELEC]

private

number of rotation levels within each elec - vib

Definition at line 610 of file h2_priv.h.

Referenced by GetIndices(), GetXColden(), gs_rate(), H2_PrtDepartCoef(), H2_PunchDo(), H2_Read_hminus_distribution(), H2_ReadDissprob(), H2_ReadEnergies(), H2_ReadTransprob(), init(), mole_H2_form(), and Read_Mol_Diss_cross_sections().

int diatomics::nTRACE

turn on trace information

Definition at line 396 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateEvalAll(), H2_Cooling(), H2_Level_low_matrix(), H2_LevelPops(), H2_RadPress(), H2_ReadTransprob(), H2_Reset(), H2_X_coll_rate_evaluate(), init(), mole_H2_LTE(), ParseAtomH2(), and SolveExcitedElectronicLevels().

long int diatomics::nVib_hi[N_ELEC]

private

number of vib states within electronic states

Definition at line 608 of file h2_priv.h.

Referenced by GetIndices(), GetXColden(), gs_rate(), H2_PrtDepartCoef(), H2_PunchDo(), H2_Read_hminus_distribution(), H2_ReadDissprob(), H2_ReadEnergies(), H2_ReadTransprob(), init(), mole_H2_form(), and Read_Mol_Diss_cross_sections().

long int diatomics::nXLevelsMatrix

private

number of levels within X which are done with matrix solver, set with atom h2 matrix command

Definition at line 692 of file h2_priv.h.

Referenced by diatomics(), H2_Level_low_matrix(), H2_LevelPops(), init(), set_numLevelsMatrix(), and SolveSomeGroundElectronicLevels().

long int diatomics::nzone_eval

private

Definition at line 703 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

long int diatomics::nzone_nlevel_set

private

this is used to establish zone number for evaluation of number of levels in matrix

Definition at line 718 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), and H2_Reset().

long int diatomics::nzoneAsEval

private

Definition at line 643 of file h2_priv.h.

Referenced by diatomics(), H2_Level_low_matrix(), and H2_Reset().

long int diatomics::nzoneEval

Definition at line 385 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::ortho_colden

column density in ortho and para H2

Definition at line 325 of file h2_priv.h.

Referenced by cdH2_colden(), diatomics(), H2_Prt_column_density(), H2_PunchDo(), and radius_increment().

double diatomics::ortho_density

the density (cm-3) of ortho H2

Definition at line 316 of file h2_priv.h.

Referenced by CoolCarb(), H2_LevelPops(), H2_Prt_Zone(), H2_PunchDo(), ColliderList::init(), IterRestart(), IterStart(), lgCheckMonitors(), mole_effects(), mole_h_fixup(), oi_othercs(), radius_increment(), and ScaleAllDensities().

realnum diatomics::ortho_density_f

Definition at line 321 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_X_coll_rate_evaluate(), IterRestart(), mole_effects(), and mole_h_fixup().

double diatomics::ortho_para_current

Definition at line 329 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::ortho_para_old

Definition at line 329 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::ortho_para_older

Definition at line 329 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

double diatomics::para_colden

Definition at line 325 of file h2_priv.h.

Referenced by cdH2_colden(), diatomics(), H2_Prt_column_density(), H2_PunchDo(), and radius_increment().

double diatomics::para_density

the density (cm-3) of para H2

Definition at line 316 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_Prt_Zone(), H2_PunchDo(), ColliderList::init(), IterRestart(), IterStart(), lgCheckMonitors(), mole_effects(), mole_h_fixup(), radius_increment(), and ScaleAllDensities().

realnum diatomics::para_density_f

Definition at line 321 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_X_coll_rate_evaluate(), IterRestart(), mole_effects(), and mole_h_fixup().

string diatomics::path

private

Definition at line 570 of file h2_priv.h.

Referenced by diatomics(), H2_CollidRateRead(), H2_Read_hminus_distribution(), H2_ReadDissocEnergies(), H2_ReadDissprob(), H2_ReadEnergies(), and H2_ReadTransprob().

double diatomics::photo_heat_hard

Definition at line 253 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

double diatomics::photo_heat_soft

Definition at line 252 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

double diatomics::photodissoc_BigH2_H2g

Definition at line 255 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), H2_zero_pops_too_low(), and mole_h_reactions().

double diatomics::photodissoc_BigH2_H2s

Definition at line 254 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), H2_zero_pops_too_low(), and mole_h_reactions().

double(* diatomics::photoion_opacity_fun)(double energy)

Definition at line 68 of file h2_priv.h.

Referenced by diatomics(), and OpacityCreate().

double diatomics::photoionize_rate

Definition at line 251 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and mole_h_rate_diagnostics().

vector<double> diatomics::pops

private

Definition at line 699 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

double diatomics::pops_per_elec[N_ELEC]

private

the total population in each elec state

Definition at line 617 of file h2_priv.h.

Referenced by GetExcitedElecDensity(), H2_LevelPops(), H2_PunchDo(), H2_zero_pops_too_low(), and SolveExcitedElectronicLevels().

multi_arr<double,2> diatomics::pops_per_vib

private

total population in each vib state

Definition at line 597 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_Prt_Zone(), H2_zero_pops_too_low(), init(), and SolveExcitedElectronicLevels().

TransitionList::iterator diatomics::rad_end

Definition at line 564 of file h2_priv.h.

Referenced by H2_Accel(), H2_ContPoint(), H2_LevelPops(), H2_LinesAdd(), H2_LineZero(), H2_PunchDo(), H2_RadPress(), H2_RT_diffuse(), H2_RT_OTS(), H2_RT_tau_inc(), H2_RT_tau_reset(), H2_RTMake(), H2_Solomon_rate(), H2_zero_pops_too_low(), init(), and SolveExcitedElectronicLevels().

double diatomics::rate_grain_J1_to_J0

Definition at line 271 of file h2_priv.h.

Referenced by diatomics(), H2_Level_low_matrix(), mole_h2_grain_form(), and SolveSomeGroundElectronicLevels().

double diatomics::rate_grain_op_conserve

rate H2 goes from all X into either J=1 (ortho) or (J=0) para on grain surfaces - units s-1

Definition at line 270 of file h2_priv.h.

Referenced by diatomics(), H2_Level_low_matrix(), mole_h2_grain_form(), and SolveSomeGroundElectronicLevels().

vector<CollRateCoeffArray> diatomics::RateCoefTable

private

Definition at line 620 of file h2_priv.h.

Referenced by H2_CollidRateEvalOne(), H2_CollidRateRead(), and init().

double diatomics::rel_pop_LTE_g

LTE pops of g and s used for H- back reactions

Definition at line 279 of file h2_priv.h.

Referenced by H2_LevelPops(), and mole_h_reactions().

double diatomics::rel_pop_LTE_s

Definition at line 280 of file h2_priv.h.

Referenced by H2_LevelPops(), and mole_h_reactions().

double diatomics::renorm_max

Definition at line 333 of file h2_priv.h.

Referenced by diatomics(), H2_Reset(), H2_RT_tau_inc(), and PrtComment().

double diatomics::renorm_min

Definition at line 333 of file h2_priv.h.

Referenced by diatomics(), H2_Reset(), H2_RT_tau_inc(), and PrtComment().

string diatomics::shortlabel

private

Definition at line 569 of file h2_priv.h.

Referenced by diatomics(), and init().

double diatomics::Solomon_dissoc_rate_g

Definition at line 261 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), H2_PunchDo(), H2_Solomon_rate(), H2_zero_pops_too_low(), and mole_h_reactions().

double diatomics::Solomon_dissoc_rate_s

Definition at line 262 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), H2_PunchDo(), H2_Solomon_rate(), H2_zero_pops_too_low(), and mole_h_reactions().

double diatomics::Solomon_elec_decay_g

these are decay rates from electronic levels into g and s

Definition at line 265 of file h2_priv.h.

Referenced by H2_PunchDo(), and H2_Solomon_rate().

double diatomics::Solomon_elec_decay_s

Definition at line 266 of file h2_priv.h.

Referenced by H2_PunchDo(), and H2_Solomon_rate().

molecule* diatomics::sp

Definition at line 558 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_X_sink_and_source(), and init().

molecule* diatomics::sp_star

Definition at line 561 of file h2_priv.h.

Referenced by H2_X_sink_and_source(), and init().

double diatomics::spon_diss_tot

Definition at line 259 of file h2_priv.h.

Referenced by diatomics(), H2_X_sink_and_source(), and SolveExcitedElectronicLevels().

vector<double> diatomics::stat_levn

private

Definition at line 699 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

qList diatomics::states

double diatomics::TeUsedBoltz

Definition at line 412 of file h2_priv.h.

Referenced by diatomics(), H2_Reset(), and mole_H2_LTE().

double diatomics::TeUsedColl

Definition at line 413 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), and H2_Reset().

TransitionList diatomics::trans

double diatomics::xMeanNoise

std and mean for the noise, log normal distribution

Definition at line 388 of file h2_priv.h.

Referenced by init(), and ParseAtomH2().

double diatomics::xSTDNoise

Definition at line 388 of file h2_priv.h.

Referenced by init(), and ParseAtomH2().

The documentation for this class was generated from the following files:

/home/iurt/rpmbuild/BUILD/c13.01/source/h2_priv.h
/home/iurt/rpmbuild/BUILD/c13.01/source/mole_dissociate.cpp
/home/iurt/rpmbuild/BUILD/c13.01/source/mole_h2.cpp
/home/iurt/rpmbuild/BUILD/c13.01/source/mole_h2_coll.cpp
/home/iurt/rpmbuild/BUILD/c13.01/source/mole_h2_create.cpp
/home/iurt/rpmbuild/BUILD/c13.01/source/mole_h2_etc.cpp
/home/iurt/rpmbuild/BUILD/c13.01/source/mole_h2_form.cpp
/home/iurt/rpmbuild/BUILD/c13.01/source/mole_h2_io.cpp

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