diatomics Class Reference

#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
Private Attributes
string	label
string	shortlabel
string	path
const double	ENERGY_H2_STAR
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
	)			`[inline, explicit]`

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, TransitionList::begin(), qList::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, multi_arr< T, d, ALLOC, lgBC >::begin(), qList::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, TransitionList::begin(), multi_arr< T, d, ALLOC, lgBC >::begin(), qList::begin(), CalcPhotoionizationRate(), t_rfield::ConInterOut, conv, t_thermal::ctot, DEBUG_ENTRY, dense, dense_total, t_dense::eden, t_conv::EdenErrorAllowed, multi_arr< T, d, ALLOC, lgBC >::end(), qList::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, pow(), 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(), t_colden::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, pow(), 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	(	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_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_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 TransitionList::begin(), qList::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, TransitionList::begin(), qList::begin(), BIGFLOAT, cdEXIT, t_hmi::chGrainFormPump, multi_arr< T, d, ALLOC, lgBC >::clone(), CollRateCoeff, CollRateErrFac, compareEmis(), DEBUG_ENER, DEBUG_ENTRY, EH2_eval(), EN1EV, TransitionList::end(), qList::end(), ENERGY_H2_STAR, energy_off, EXIT_FAILURE, EXIT_SUCCESS, findspecies(), findspecieslocal(), 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, ioQQQ, ipCRDW, ipElec_H2_energy_sort, ipEnergySort, ipH2, ipNCOLLIDER, ipoint(), ipRot_H2_energy_sort, ipTransitionSort, ipVib_H2_energy_sort, is_odd(), Jlowest, label, molezone::levels, lgEnabled, lgH2_NOISE, lgH2_radiative, t_hmi::lgLeiden_Keep_ipMH2s, lgRadiative(), lgREAD_DATA, t_mole_global::lgStancil, molezone::lines, mass_amu, 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, pow(), 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, TransitionList::size(), qList::size(), SMALLFLOAT, sp, sp_star, 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_dense::gas_phase, t_deuterium::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, multi_arr< T, d, ALLOC, lgBC >::begin(), qList::begin(), TransitionList::begin(), multi_arr< T, d, ALLOC, lgBC >::clone(), DEBUG_ENTRY, dense_total, multi_arr< T, d, ALLOC, lgBC >::end(), qList::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 692 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

double** diatomics::AulEscp [private]

Definition at line 692 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

double ** diatomics::AulPump [private]

Definition at line 692 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 586 of file h2_priv.h.

Referenced by diatomics(), and H2_ParseSave().

double ** diatomics::col_str [private]

Definition at line 692 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 692 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

multi_arr<realnum,3> diatomics::CollRateCoeff [private]

Definition at line 616 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 617 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 697 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

const double* const diatomics::dense_total [private]

Definition at line 584 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 697 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), and H2_PrtDepartCoef().

vector<double> diatomics::destroy [private]

Definition at line 697 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 [private]

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

Definition at line 581 of file h2_priv.h.

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

vector<double> diatomics::excit [private]

Definition at line 697 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 633 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 646 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 647 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 663 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 666 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 677 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 677 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 628 of file h2_priv.h.

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

double diatomics::H2_DissocEnergies[N_ELEC] [private]

Definition at line 604 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 627 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 645 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 638 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 632 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 634 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 648 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 629 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 598 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 705 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 636 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 655 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 657 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 601 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 651 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 674 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 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_hminus_formation_distribution [private]

vib, rot, last dim is temperature

Definition at line 680 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 659 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 661 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 670 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 669 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 683 of file h2_priv.h.

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

multi_arr<long int,3> diatomics::ipEnergySort [private]

Definition at line 685 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 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().

multi_arr<long int,2> diatomics::ipTransitionSort [private]

Definition at line 686 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 682 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 702 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

long int diatomics::iterationAsEval [private]

Definition at line 641 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 611 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 699 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::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 700 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 709 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 721 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().