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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 (void)
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
moleculesp
moleculesp_star
qList states
TransitionList trans
TransitionList::iterator rad_end
vector< diss_tranDiss_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< CollRateCoeffArrayRateCoefTable
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< realnumH2_X_source
valarray< realnumH2_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 65 of file h2_priv.h.

Constructor & Destructor Documentation

◆ diatomics()

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

Member Function Documentation

◆ Abund()

double diatomics::Abund ( ) const
inline

Definition at line 68 of file h2_priv.h.

References dense_total.

◆ CalcPhotoionizationRate()

void diatomics::CalcPhotoionizationRate ( void )

◆ Cont_Diss_Heat_Rate()

double diatomics::Cont_Diss_Heat_Rate ( void )

Definition at line 223 of file mole_dissociate.cpp.

References DEBUG_ENTRY, Diss_Trans, lgEnabled, Mol_Photo_Diss_Rates(), and mole_global.

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◆ GetDissociationRate()

double diatomics::GetDissociationRate ( const diss_tran & tran)

◆ GetExcitedElecDensity()

double diatomics::GetExcitedElecDensity ( void )

Definition at line 2538 of file mole_h2.cpp.

References n_elec_states, and pops_per_elec.

Referenced by H2_Solomon_rate().

◆ GetHeatRate()

double diatomics::GetHeatRate ( const diss_tran & tran)

◆ GetIndices()

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

Definition at line 208 of file mole_h2_coll.cpp.

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

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◆ getLine()

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

◆ GetXColden()

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

Definition at line 2359 of file mole_h2.cpp.

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

Referenced by cdH2_colden().

◆ gs_rate()

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, 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().

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◆ H2_Accel()

double diatomics::H2_Accel ( void )

radiative acceleration due to H2 called in rt_line_driving

Definition at line 297 of file mole_h2.cpp.

References ASSERT, DEBUG_ENTRY, lgEnabled, rad_end, and trans.

◆ H2_Calc_Average_Rates()

void diatomics::H2_Calc_Average_Rates ( void )

◆ H2_Colden()

void diatomics::H2_Colden ( const char * chLabel)

H2_Colden maintain H2 column densities within X

Parameters
*chLabel

Definition at line 2378 of file mole_h2.cpp.

References cdEXIT, DEBUG_ENTRY, dense_total, EXIT_FAILURE, H2_populations_LTE, H2_X_colden, H2_X_colden_LTE, ioQQQ, lgEnabled, radius, and states.

◆ H2_CollidRateEvalAll()

void diatomics::H2_CollidRateEvalAll ( void )

◆ H2_CollidRateEvalOne()

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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◆ H2_CollidRateRead()

void diatomics::H2_CollidRateRead ( long int nColl)

read collision rates

Parameters
nColl

Definition at line 166 of file mole_h2_coll.cpp.

References cdEXIT, coll_source, DEBUG_ENTRY, EXIT_FAILURE, FILENAME_PATH_LENGTH_2, input, INPUT_LINE_LENGTH, ioQQQ, nLevels_per_elec, open_data(), path, RateCoefTable, read_whole_line(), and ReadCollisionRateTable().

Referenced by init().

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◆ H2_ContPoint()

void diatomics::H2_ContPoint ( void )

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

Definition at line 279 of file mole_h2.cpp.

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

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◆ H2_Cooling()

void diatomics::H2_Cooling ( void )

◆ H2_DR()

double diatomics::H2_DR ( void )

H2_DR choose next zone thickness based on H2 big molecule

Definition at line 2423 of file mole_h2.cpp.

References BIGFLOAT.

◆ H2_InterEnergy()

double diatomics::H2_InterEnergy ( void )

internal energy of H2 called in PresTotCurrent

◆ H2_itrzn()

double diatomics::H2_itrzn ( void )

H2_itrzn - average number of H2 pop evaluations per zone

Definition at line 266 of file mole_h2.cpp.

References lgEnabled, nH2_pops, and nH2_zone.

◆ H2_Level_low_matrix()

◆ H2_LevelPops()

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

do level populations for H2, called by iso_solve

Definition at line 909 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, CalcPhotoionizationRate(), conv, DEBUG_ENTRY, dense, dense_total, ENERGY_H2_STAR, EVRYD, fixit(), fnzone, fp_equal(), fp_equal_tol(), FRAC, frac_matrix, 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, H2_Level_low_matrix(), H2_lgOrtho, H2_old_populations, H2_populations_LTE, H2_rad_rate_in, H2_rad_rate_out, 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, HeatDexc, HeatDexc_old, hmi, ioQQQ, ipElec_H2_energy_sort, ipEnergySort, ipoint(), ipRot_H2_energy_sort, ipVib_H2_energy_sort, label, lgAbort, lgEnabled, lgEvaluated, lgLTE, 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, nTRACE, nXLevelsMatrix, nzone, nzone_nlevel_set, nzoneEval, ortho_density, ortho_density_f, ortho_para_current, ortho_para_old, ortho_para_older, 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, states, TeUsedColl, thermal, TorF(), TotalInsanity(), trace, and trans.

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◆ H2_LinesAdd()

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 DEBUG_ENTRY, H2_SaveLine, ipEnergySort, ipTransitionSort, label, lgEnabled, lindst(), LineSave, nElecLevelOutput, PutLine(), rad_end, radius, and trans.

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◆ H2_LineZero()

void diatomics::H2_LineZero ( void )

initialize optical depths in H2, called from RT_tau_init

Definition at line 442 of file mole_h2.cpp.

References DEBUG_ENTRY, lgEnabled, rad_end, and trans.

◆ H2_ParseSave()

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, DEBUG_ENTRY, EXIT_FAILURE, Parser::getNumberDefault(), Parser::getNumberDefaultNegImplLog(), ioQQQ, N_X_COLLIDER, nElecLevelOutput, Parser::nMatch(), save, and thresh_punline_h2.

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◆ H2_Prt_column_density()

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
*ioMEANthis 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().

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◆ H2_Prt_line_tau()

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 1187 of file mole_h2_io.cpp.

References DEBUG_ENTRY, lgEnabled, prme(), and trans.

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◆ H2_Prt_Zone()

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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◆ H2_PrtDepartCoef()

void diatomics::H2_PrtDepartCoef ( void )

◆ H2_Punch_line_data()

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

save H2 line data

Parameters
ioPUNio unit for save
lgDoAllsave all levels if true, only subset if false

Definition at line 1125 of file mole_h2_io.cpp.

References cdEXIT, DEBUG_ENTRY, EXIT_FAILURE, ioQQQ, lgEnabled, Save1LineData(), and trans.

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◆ H2_PunchDo()

◆ H2_PunchLineStuff()

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 1167 of file mole_h2_io.cpp.

References DEBUG_ENTRY, dense, GetDopplerWidth(), ipHYDROGEN, lgEnabled, Save1Line(), and trans.

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◆ H2_RadPress()

double diatomics::H2_RadPress ( void )

rad pre due to h2 lines called in PresTotCurrent

Definition at line 320 of file mole_h2.cpp.

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

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◆ H2_Read_hminus_distribution()

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 984 of file mole_h2_io.cpp.

References ASSERT, BadRead(), cdEXIT, 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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◆ H2_ReadDissocEnergies()

void diatomics::H2_ReadDissocEnergies ( void )

Definition at line 829 of file mole_h2_io.cpp.

References ASSERT, cdEXIT, 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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◆ H2_ReadDissprob()

void diatomics::H2_ReadDissprob ( long int nelec)

read dissociation probabilities and kinetic energies for all electronic levels

Parameters
nelec

Definition at line 893 of file mole_h2_io.cpp.

References ASSERT, cdEXIT, 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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◆ H2_ReadEnergies() [1/2]

void diatomics::H2_ReadEnergies ( )

Definition at line 672 of file mole_h2_io.cpp.

References ASSERT, DEBUG_ENTRY, H2_ReadEnergies(), Jlowest, label, MAX2, n_elec_states, nLevels_per_elec, nRot_hi, nVib_hi, and states.

Referenced by H2_ReadEnergies(), and init().

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◆ H2_ReadEnergies() [2/2]

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

Definition at line 737 of file mole_h2_io.cpp.

References ASSERT, cdEXIT, 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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◆ H2_ReadTransprob()

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, DEBUG_ENTRY, TransitionList::Emis(), EXIT_FAILURE, FFmtRead(), FILENAME_PATH_LENGTH_2, input, ioQQQ, ipEnergySort, ipTransitionSort, lgH2_radiative, N_ELEC, nRot_hi, nVib_hi, open_data(), path, read_whole_line(), ShowMe(), and states.

Referenced by init().

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◆ H2_Reset()

void diatomics::H2_Reset ( void )

◆ H2_RT_diffuse()

void diatomics::H2_RT_diffuse ( void )

do emission from H2 - called from RT_diffuse

Definition at line 371 of file mole_h2.cpp.

References DEBUG_ENTRY, lgEnabled, nCall_this_zone, rad_end, and trans.

◆ H2_RT_OTS()

void diatomics::H2_RT_OTS ( void )

H2_RT_OTS - add H2 ots fields

Definition at line 2429 of file mole_h2.cpp.

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

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◆ H2_RT_tau_inc()

void diatomics::H2_RT_tau_inc ( void )

increment optical depth for the H2 molecule, called from RT_tau_inc

Definition at line 412 of file mole_h2.cpp.

References ASSERT, 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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◆ H2_RT_tau_reset()

void diatomics::H2_RT_tau_reset ( void )

the large H2 molecule, called from RT_tau_reset

Definition at line 458 of file mole_h2.cpp.

References DEBUG_ENTRY, lgEnabled, rad_end, RT_line_one_tau_reset(), and trans.

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◆ H2_RTMake()

void diatomics::H2_RTMake ( void )

do RT for H2 lines

Definition at line 390 of file mole_h2.cpp.

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

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◆ H2_Solomon_rate()

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 DEBUG_ENTRY, dense_total, ENERGY_H2_STAR, GetExcitedElecDensity(), H2_den_g, H2_den_s, H2_dissprob, H2_rad_rate_out, hmi, 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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◆ H2_X_coll_rate_evaluate()

void diatomics::H2_X_coll_rate_evaluate ( void )

◆ H2_X_sink_and_source()

◆ H2_zero_pops_too_low()

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 DEBUG_ENTRY, 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, and trans.

Referenced by H2_LevelPops().

◆ init()

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(), AllTransitions, ASSERT, ATOMIC_MASS_UNIT, TransitionList::begin(), BIGFLOAT, cdEXIT, CollRateCoeff, CollRateErrFac, compareEmis(), DEBUG_ENER, DEBUG_ENTRY, EH2_eval(), EN1EV, ENERGY_H2_STAR, energy_off, EXIT_FAILURE, EXIT_SUCCESS, findspecies(), fixit(), 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, lgEnabled, lgH2_NOISE, lgH2_radiative, lgRadiative(), lgREAD_DATA, mass_amu, mole, mole_global, n_elec_states, N_X_COLLIDER, nEner_H2_ground, nLevels_per_elec, nRot_hi, nTE_HMINUS, null_mole, nVib_hi, nXLevelsMatrix, opac, PI, PI4, pops_per_vib, POW2, pow3(), rad_end, RandGauss(), RateCoefTable, Read_Mol_Diss_cross_sections(), RefIndex(), TransitionList::resize(), sexp(), shortlabel, SMALLFLOAT, sp, sp_star, states, TransitionList::states(), TotalInsanity(), trans, WAVNRYD, xMeanNoise, and xSTDNoise.

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◆ Mol_Photo_Diss_Rates()

void diatomics::Mol_Photo_Diss_Rates ( void )

◆ MolDissocOpacity()

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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◆ mole_H2_form()

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 ASSERT, DEBUG_ENTRY, molezone::den, dense, deut, ENERGY_H2_STAR, findspecieslocal(), fixit(), fp_equal_tol(), gv, h2, H2_logte_hminus, H2_X_formation, H2_X_grain_formation_distribution, H2_X_Hmin_back, H2_X_hminus_formation_distribution, hd, hmi, ipEnergySort, ipH2, ipHYDROGEN, Jlowest, mole, nRot_hi, nTE_HMINUS, nVib_hi, phycon, SMALLFLOAT, and states.

Referenced by H2_LevelPops().

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◆ mole_H2_LTE()

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, DEBUG_ENTRY, dsexp(), fp_equal(), H2_Boltzmann, H2_populations_LTE, ioQQQ, n_trace_full, nTRACE, phycon, states, and TeUsedBoltz.

Referenced by H2_LevelPops().

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◆ OpacityCreate()

long diatomics::OpacityCreate ( double * stack)

◆ Read_Mol_Diss_cross_sections()

void diatomics::Read_Mol_Diss_cross_sections ( void )

Definition at line 15 of file mole_dissociate.cpp.

References 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(), and WAVNRYD.

Referenced by init().

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◆ set_numLevelsMatrix()

void diatomics::set_numLevelsMatrix ( long numLevels)

Definition at line 1994 of file mole_h2_io.cpp.

References lgREAD_DATA, and nXLevelsMatrix.

Referenced by ParseAtomH2().

◆ SolveExcitedElectronicLevels()

◆ SolveSomeGroundElectronicLevels()

Field Documentation

◆ AulDest

double ** diatomics::AulDest
private

Definition at line 699 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ AulEscp

double** diatomics::AulEscp
private

Definition at line 697 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ AulPump

double ** diatomics::AulPump
private

Definition at line 700 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ Average_A

double diatomics::Average_A

Average Einstein A for H2s to H2g transition

Definition at line 296 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

◆ Average_collH2_deexcit

double diatomics::Average_collH2_deexcit

Average noreactive collisional rate for H2s to H2g transition

Definition at line 298 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

◆ Average_collH2_dissoc_g

double diatomics::Average_collH2_dissoc_g

Definition at line 305 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ Average_collH2_dissoc_s

double diatomics::Average_collH2_dissoc_s

Definition at line 306 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ Average_collH2_excit

double diatomics::Average_collH2_excit

Definition at line 300 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

◆ Average_collH_deexcit

double diatomics::Average_collH_deexcit

Definition at line 299 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

◆ Average_collH_dissoc_g

double diatomics::Average_collH_dissoc_g

Average collisional dissociation of H2g and H2s by H and H2

Definition at line 303 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ Average_collH_dissoc_s

double diatomics::Average_collH_dissoc_s

Definition at line 304 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ Average_collH_excit

double diatomics::Average_collH_excit

Definition at line 301 of file h2_priv.h.

Referenced by diatomics(), and H2_Calc_Average_Rates().

◆ average_energy_g

double diatomics::average_energy_g

average energy level of H2g and H2s

Definition at line 286 of file h2_priv.h.

Referenced by H2_LevelPops(), and H2_PunchDo().

◆ average_energy_s

double diatomics::average_energy_s

Definition at line 287 of file h2_priv.h.

Referenced by H2_LevelPops(), and H2_PunchDo().

◆ chH2ColliderLabels

char diatomics::chH2ColliderLabels[N_X_COLLIDER][chN_X_COLLIDER]
private

Definition at line 591 of file h2_priv.h.

Referenced by diatomics(), and H2_ParseSave().

◆ col_str

double ** diatomics::col_str
private

Definition at line 698 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ coll_source

t_coll_source diatomics::coll_source[N_X_COLLIDER]

Definition at line 316 of file h2_priv.h.

Referenced by H2_CollidRateRead(), and ParseAtomH2().

◆ CollRate_levn

double ** diatomics::CollRate_levn
private

Definition at line 701 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ CollRateCoeff

multi_arr<realnum,3> diatomics::CollRateCoeff
private

◆ CollRateErrFac

multi_arr<realnum,3> diatomics::CollRateErrFac
private

Definition at line 622 of file h2_priv.h.

Referenced by H2_CollidRateEvalOne(), and init().

◆ Cont_Dissoc_Rate

multi_arr<double,3> diatomics::Cont_Dissoc_Rate

◆ Cont_Dissoc_Rate_H2g

double diatomics::Cont_Dissoc_Rate_H2g

Definition at line 278 of file h2_priv.h.

Referenced by Mol_Photo_Diss_Rates().

◆ Cont_Dissoc_Rate_H2s

double diatomics::Cont_Dissoc_Rate_H2s

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

Definition at line 277 of file h2_priv.h.

Referenced by Mol_Photo_Diss_Rates().

◆ create

vector<double> diatomics::create
private

Definition at line 702 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ dense_total

const double* const diatomics::dense_total
private

◆ depart

vector<double> diatomics::depart
private

Definition at line 702 of file h2_priv.h.

Referenced by H2_Level_low_matrix(), and H2_PrtDepartCoef().

◆ destroy

vector<double> diatomics::destroy
private

Definition at line 702 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ Diss_Trans

vector< diss_tran > diatomics::Diss_Trans

◆ ENERGY_H2_STAR

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 585 of file h2_priv.h.

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

◆ excit

vector<double> diatomics::excit
private

Definition at line 702 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ frac_matrix

double diatomics::frac_matrix

Definition at line 412 of file h2_priv.h.

Referenced by H2_LevelPops().

◆ H2_Boltzmann

multi_arr<double,3> diatomics::H2_Boltzmann
private

◆ H2_col_rate_in

multi_arr<double,2> diatomics::H2_col_rate_in
private

Definition at line 651 of file h2_priv.h.

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

◆ H2_col_rate_out

multi_arr<double,2> diatomics::H2_col_rate_out
private

Definition at line 652 of file h2_priv.h.

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

◆ H2_coll_dissoc_rate_coef

multi_arr<realnum,2> diatomics::H2_coll_dissoc_rate_coef
private

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

Definition at line 668 of file h2_priv.h.

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

◆ H2_coll_dissoc_rate_coef_H2

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 671 of file h2_priv.h.

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

◆ H2_den_g

double diatomics::H2_den_g
private

Definition at line 682 of file h2_priv.h.

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

◆ H2_den_s

double diatomics::H2_den_s
private

density of H2s and H2g during current iteration

Definition at line 682 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().

◆ H2_disske

multi_arr<realnum,3> diatomics::H2_disske
private

Definition at line 633 of file h2_priv.h.

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

◆ H2_DissocEnergies

double diatomics::H2_DissocEnergies[N_ELEC]
private

Definition at line 609 of file h2_priv.h.

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

◆ H2_dissprob

multi_arr<realnum,3> diatomics::H2_dissprob
private

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

Definition at line 632 of file h2_priv.h.

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

◆ H2_ipPhoto

multi_arr<int,2> diatomics::H2_ipPhoto
private

Definition at line 650 of file h2_priv.h.

Referenced by H2_X_sink_and_source(), and init().

◆ H2_lgOrtho

multi_arr<bool,3> diatomics::H2_lgOrtho
private

◆ H2_old_populations

multi_arr<double,3> diatomics::H2_old_populations
private

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

Definition at line 637 of file h2_priv.h.

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

◆ H2_populations_LTE

multi_arr<double,3> diatomics::H2_populations_LTE
private

◆ H2_rad_rate_in

multi_arr<double,2> diatomics::H2_rad_rate_in
private

◆ H2_rad_rate_out

multi_arr<double,3> diatomics::H2_rad_rate_out
private

◆ H2_renorm_chemistry

double diatomics::H2_renorm_chemistry
private

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

Definition at line 603 of file h2_priv.h.

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

◆ H2_SaveLine

multi_arr<realnum,6> diatomics::H2_SaveLine
private

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

Definition at line 710 of file h2_priv.h.

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

◆ H2_stat

multi_arr<realnum,3> diatomics::H2_stat
private

this is total statistical weight, including nuclear spin

Definition at line 641 of file h2_priv.h.

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

◆ H2_to_H_limit

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 394 of file h2_priv.h.

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

◆ H2_X_colden

multi_arr<realnum,2> diatomics::H2_X_colden
private

column density within X only vib and rot

Definition at line 660 of file h2_priv.h.

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

◆ H2_X_colden_LTE

multi_arr<realnum,2> diatomics::H2_X_colden_LTE
private

LTE column density within X only vib and rot

Definition at line 662 of file h2_priv.h.

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

◆ H2_X_coll_rate

multi_arr<realnum,2> diatomics::H2_X_coll_rate
private

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

Definition at line 606 of file h2_priv.h.

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

◆ H2_X_formation

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 656 of file h2_priv.h.

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

◆ H2_X_grain_formation_distribution

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 679 of file h2_priv.h.

Referenced by init(), and mole_H2_form().

◆ H2_X_Hmin_back

multi_arr<realnum,2> diatomics::H2_X_Hmin_back
private

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

Definition at line 658 of file h2_priv.h.

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

◆ H2_X_hminus_formation_distribution

multi_arr<realnum,3> diatomics::H2_X_hminus_formation_distribution
private

vib, rot, last dim is temperature

Definition at line 685 of file h2_priv.h.

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

◆ H2_X_rate_from_elec_excited

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 664 of file h2_priv.h.

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

◆ H2_X_rate_to_elec_excited

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 666 of file h2_priv.h.

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

◆ H2_X_sink

valarray<realnum> diatomics::H2_X_sink
private

◆ H2_X_source

valarray<realnum> diatomics::H2_X_source
private

◆ HeatChange

double diatomics::HeatChange

Definition at line 293 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ HeatChangeOld

double diatomics::HeatChangeOld

Definition at line 293 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ HeatDexc

double diatomics::HeatDexc

Definition at line 290 of file h2_priv.h.

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

◆ HeatDexc_deriv

double diatomics::HeatDexc_deriv

Definition at line 292 of file h2_priv.h.

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

◆ HeatDexc_old

double diatomics::HeatDexc_old

Definition at line 291 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ HeatDiss

double diatomics::HeatDiss

Definition at line 289 of file h2_priv.h.

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

◆ ip_photo_opac_offset

long diatomics::ip_photo_opac_offset

Definition at line 314 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and OpacityCreate().

◆ ip_photo_opac_thresh

long diatomics::ip_photo_opac_thresh

index for threshold for photoionization

Definition at line 313 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and OpacityCreate().

◆ ipElec_H2_energy_sort

valarray<long> diatomics::ipElec_H2_energy_sort
private

Definition at line 688 of file h2_priv.h.

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

◆ ipEnergySort

◆ ipRot_H2_energy_sort

valarray<long> diatomics::ipRot_H2_energy_sort
private

◆ ipTransitionSort

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

◆ ipVib_H2_energy_sort

valarray<long> diatomics::ipVib_H2_energy_sort
private

◆ iteration_evaluated

long int diatomics::iteration_evaluated
private

Definition at line 707 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

◆ iterationAsEval

long int diatomics::iterationAsEval
private

Definition at line 646 of file h2_priv.h.

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

◆ Jlowest

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 616 of file h2_priv.h.

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

◆ label

string diatomics::label
private

◆ levelAsEval

long int diatomics::levelAsEval
private

Definition at line 704 of file h2_priv.h.

Referenced by diatomics(), and H2_Level_low_matrix().

◆ lgColl_deexec_Calc

bool diatomics::lgColl_deexec_Calc

this is option to turn off the calculated collision rates

Definition at line 359 of file h2_priv.h.

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

◆ lgColl_dissoc_coll

bool diatomics::lgColl_dissoc_coll

this is option to turn off guesses of collisional dissociation rates

Definition at line 362 of file h2_priv.h.

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

◆ lgColl_gbar

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 356 of file h2_priv.h.

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

◆ lgEnabled

◆ lgEvaluated

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 310 of file h2_priv.h.

Referenced by diatomics(), H2_LevelPops(), H2_PunchDo(), and H2_Reset().

◆ lgFirst

bool diatomics::lgFirst
private

Definition at line 705 of file h2_priv.h.

Referenced by diatomics(), and H2_Level_low_matrix().

◆ lgH2_grain_deexcitation

bool diatomics::lgH2_grain_deexcitation

Definition at line 366 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

◆ lgH2_H_coll_07

bool diatomics::lgH2_H_coll_07

Definition at line 352 of file h2_priv.h.

Referenced by diatomics().

◆ lgH2_He_ORNL

bool diatomics::lgH2_He_ORNL

Definition at line 376 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

◆ lgH2_NOISE

bool diatomics::lgH2_NOISE

put noise into collision rates

Definition at line 383 of file h2_priv.h.

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

◆ lgH2_NOISECOSMIC

bool diatomics::lgH2_NOISECOSMIC

noise for the CR collisions

Definition at line 385 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

◆ lgH2_ORH2_ORNL

bool diatomics::lgH2_ORH2_ORNL

Definition at line 379 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

◆ lgH2_ortho_para_coll_on

bool diatomics::lgH2_ortho_para_coll_on

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

Definition at line 372 of file h2_priv.h.

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

◆ lgH2_PAH2_ORNL

bool diatomics::lgH2_PAH2_ORNL

Definition at line 380 of file h2_priv.h.

Referenced by diatomics(), and ParseAtomH2().

◆ lgH2_radiative

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 714 of file h2_priv.h.

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

◆ lgLTE

bool diatomics::lgLTE

flag to force LTE level populations, atom H2 LTE

Definition at line 369 of file h2_priv.h.

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

◆ lgREAD_DATA

bool diatomics::lgREAD_DATA

flag saying whether molecular data have been read in yet

Definition at line 252 of file h2_priv.h.

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

◆ loop_h2_oscil

long int diatomics::loop_h2_oscil

Definition at line 387 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ mass_amu

realnum diatomics::mass_amu

Definition at line 396 of file h2_priv.h.

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

◆ n_elec_states

◆ n_trace_final

int diatomics::n_trace_final

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

Definition at line 402 of file h2_priv.h.

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

◆ n_trace_full

◆ n_trace_iterations

int diatomics::n_trace_iterations

Definition at line 403 of file h2_priv.h.

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

◆ n_trace_matrix

int diatomics::n_trace_matrix

Definition at line 405 of file h2_priv.h.

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

◆ nCall_this_iteration

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 726 of file h2_priv.h.

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

◆ nCall_this_zone

long int diatomics::nCall_this_zone

◆ ndimMalloced

long int diatomics::ndimMalloced
private

Definition at line 696 of file h2_priv.h.

Referenced by diatomics(), and H2_Level_low_matrix().

◆ nElecLevelOutput

int diatomics::nElecLevelOutput

Definition at line 349 of file h2_priv.h.

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

◆ nEner_H2_ground

long int diatomics::nEner_H2_ground
private

number of levels in H2g

Definition at line 597 of file h2_priv.h.

Referenced by gs_rate(), and init().

◆ nH2_pops

long int diatomics::nH2_pops
private

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

Definition at line 717 of file h2_priv.h.

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

◆ nH2_zone

long int diatomics::nH2_zone
private

Definition at line 718 of file h2_priv.h.

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

◆ nLevels_per_elec

long int diatomics::nLevels_per_elec[N_ELEC]
private

◆ nRot_hi

valarray<long> diatomics::nRot_hi[N_ELEC]
private

◆ nTRACE

◆ nVib_hi

long int diatomics::nVib_hi[N_ELEC]
private

◆ nXLevelsMatrix

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 695 of file h2_priv.h.

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

◆ nzone_eval

long int diatomics::nzone_eval
private

Definition at line 706 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

◆ nzone_nlevel_set

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 721 of file h2_priv.h.

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

◆ nzoneAsEval

long int diatomics::nzoneAsEval
private

Definition at line 646 of file h2_priv.h.

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

◆ nzoneEval

long int diatomics::nzoneEval

Definition at line 388 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ ortho_colden

double diatomics::ortho_colden

column density in ortho and para H2

Definition at line 328 of file h2_priv.h.

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

◆ ortho_density

double diatomics::ortho_density

the density (cm-3) of ortho H2

Definition at line 319 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_Prt_Zone(), and H2_PunchDo().

◆ ortho_density_f

realnum diatomics::ortho_density_f

Definition at line 324 of file h2_priv.h.

Referenced by H2_LevelPops().

◆ ortho_para_current

double diatomics::ortho_para_current

Definition at line 332 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ ortho_para_old

double diatomics::ortho_para_old

Definition at line 332 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ ortho_para_older

double diatomics::ortho_para_older

Definition at line 332 of file h2_priv.h.

Referenced by diatomics(), and H2_LevelPops().

◆ para_colden

double diatomics::para_colden

Definition at line 329 of file h2_priv.h.

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

◆ para_density

double diatomics::para_density

the density (cm-3) of para H2

Definition at line 321 of file h2_priv.h.

Referenced by H2_LevelPops(), H2_Prt_Zone(), and H2_PunchDo().

◆ para_density_f

realnum diatomics::para_density_f

Definition at line 325 of file h2_priv.h.

Referenced by H2_LevelPops().

◆ path

◆ photo_heat_hard

double diatomics::photo_heat_hard

Definition at line 256 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

◆ photo_heat_soft

double diatomics::photo_heat_soft

Definition at line 255 of file h2_priv.h.

Referenced by CalcPhotoionizationRate(), and diatomics().

◆ photodissoc_BigH2_H2g

double diatomics::photodissoc_BigH2_H2g

Definition at line 258 of file h2_priv.h.

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

◆ photodissoc_BigH2_H2s

double diatomics::photodissoc_BigH2_H2s

Definition at line 257 of file h2_priv.h.

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

◆ photoion_opacity_fun

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

Definition at line 74 of file h2_priv.h.

Referenced by diatomics(), and OpacityCreate().

◆ photoionize_rate

double diatomics::photoionize_rate

Definition at line 254 of file h2_priv.h.

Referenced by CalcPhotoionizationRate().

◆ pops

vector<double> diatomics::pops
private

Definition at line 702 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ pops_per_elec

double diatomics::pops_per_elec[N_ELEC]
private

the total population in each elec state

Definition at line 620 of file h2_priv.h.

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

◆ pops_per_vib

multi_arr<double,2> diatomics::pops_per_vib
private

total population in each vib state

Definition at line 600 of file h2_priv.h.

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

◆ rad_end

◆ rate_grain_J1_to_J0

double diatomics::rate_grain_J1_to_J0

Definition at line 274 of file h2_priv.h.

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

◆ rate_grain_op_conserve

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 273 of file h2_priv.h.

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

◆ RateCoefTable

vector<CollRateCoeffArray> diatomics::RateCoefTable
private

Definition at line 623 of file h2_priv.h.

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

◆ rel_pop_LTE_g

double diatomics::rel_pop_LTE_g

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

Definition at line 282 of file h2_priv.h.

Referenced by H2_LevelPops().

◆ rel_pop_LTE_s

double diatomics::rel_pop_LTE_s

Definition at line 283 of file h2_priv.h.

Referenced by H2_LevelPops().

◆ renorm_max

double diatomics::renorm_max

Definition at line 336 of file h2_priv.h.

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

◆ renorm_min

double diatomics::renorm_min

Definition at line 337 of file h2_priv.h.

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

◆ shortlabel

string diatomics::shortlabel
private

Definition at line 572 of file h2_priv.h.

Referenced by diatomics(), and init().

◆ Solomon_dissoc_rate_g

double diatomics::Solomon_dissoc_rate_g

Definition at line 264 of file h2_priv.h.

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

◆ Solomon_dissoc_rate_s

double diatomics::Solomon_dissoc_rate_s

Definition at line 265 of file h2_priv.h.

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

◆ Solomon_elec_decay_g

double diatomics::Solomon_elec_decay_g

these are decay rates from electronic levels into g and s

Definition at line 268 of file h2_priv.h.

Referenced by H2_PunchDo(), and H2_Solomon_rate().

◆ Solomon_elec_decay_s

double diatomics::Solomon_elec_decay_s

Definition at line 269 of file h2_priv.h.

Referenced by H2_PunchDo(), and H2_Solomon_rate().

◆ sp

molecule* diatomics::sp

Definition at line 563 of file h2_priv.h.

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

◆ sp_star

molecule* diatomics::sp_star

Definition at line 564 of file h2_priv.h.

Referenced by H2_X_sink_and_source(), and init().

◆ spon_diss_tot

double diatomics::spon_diss_tot

Definition at line 262 of file h2_priv.h.

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

◆ stat_levn

vector<double> diatomics::stat_levn
private

Definition at line 702 of file h2_priv.h.

Referenced by H2_Level_low_matrix().

◆ states

◆ TeUsedBoltz

double diatomics::TeUsedBoltz

Definition at line 415 of file h2_priv.h.

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

◆ TeUsedColl

double diatomics::TeUsedColl

Definition at line 416 of file h2_priv.h.

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

◆ trans

◆ xMeanNoise

double diatomics::xMeanNoise

std and mean for the noise, log normal distribution

Definition at line 391 of file h2_priv.h.

Referenced by init(), and ParseAtomH2().

◆ xSTDNoise

double diatomics::xSTDNoise

Definition at line 391 of file h2_priv.h.

Referenced by init(), and ParseAtomH2().


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