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Data Structures | |
| struct | t_co |
| struct | t_mole |
| struct | molecule |
Enumerations | |
| enum | { CHARS_SPECIES = 7 } |
Functions | |
| void | CO_drive (void) |
| void | CO_zero (void) |
| void | CO_create_react (void) |
| void | CO_Init (void) |
| void | CO_update_rks (void) |
| void | CO_update_species_cache (void) |
| double | CO_sink_rate (const char chSpecies[]) |
| double | CO_source_rate (const char chSpecies[]) |
| double | CO_dissoc_rate (const char chSpecies[]) |
| COmole_rate_s * | CO_findrate_s (const char buf[]) |
| double | CO_findrk (const char buf[]) |
| double | CO_findrate (const char buf[]) |
| molecule * | findspecies (const char buf[]) |
| void | CO_punch_mol (FILE *punit, const char chSpecies[], char header[], double depth) |
Variables | |
| molecule | null_mole |
| EXTERN struct t_co | co |
| EXTERN struct t_mole | mole |
| EXTERN struct molecule ** | COmole |
| void CO_create_react | ( | void | ) |
CO_create_react build reaction structures
Definition at line 54 of file mole_co_reactions.cpp.
References ASSERT, co, co_lnu_c_o_lnu(), coreactions, crnurate(), DEBUG_ENTRY, ele_ion_ladder(), grn_abs(), gv, h_hnc_hcn_h(), hmi, hmrate(), t_gv::lgDustOn, t_co::lgFederman, t_mole::lgGrain_mole_deplete, t_hmi::lgLeiden_Keep_ipMH2s, t_co::lgProtElim, t_co::lgUMISTrates, t_coreactions::list, makeplist(), MALLOC, mole, mole_priv, t_coreactions::n, newreact(), oh_c2h2_co_ch3(), mole_priv_s::reactab, th85rate(), th85rate_co(), and vib_evap().
Referenced by InitSimPostparse().
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| double CO_dissoc_rate | ( | const char | chSpecies[] | ) |
| void CO_drive | ( | void | ) |
CO_drive main driver for heavy molecular equilibrium routines
Definition at line 44 of file mole_co_drive.cpp.
References t_CoolHeavy::C12O16Rot, C12O16Rotate, t_CoolHeavy::C13O16Rot, C13O16Rotate, co, CO_findrate_s(), t_co::CODissHeat, t_transition::Coll, COmole, t_collision::cool, CoolHeavy, t_CoolHeavy::dC12O16Rot, t_CoolHeavy::dC13O16Rot, DEBUG_ENTRY, dense, t_transition::Emis, t_dense::gas_phase, t_hmi::H2_total, h2lim, t_collision::heat, t_thermal::heating, molecule::hevmol, t_transition::Hi, hmi, t_dense::IonLow, ioQQQ, ipCARBON, ipHYDROGEN, ipIRON, ipLITHIUM, ipMAGNESIUM, ipOXYGEN, ipSILICON, ipSULPHUR, iteration, t_co::iteration_co, t_co::lgCODoCalc, t_dense::lgElmtOn, lgMoleZeroed, t_co::lgNoCOMole, t_hmi::lgNoH2Mole, LIMELM, t_transition::Lo, mole, nCORotate, t_trace::nTrConvg, t_mole::num_comole_calc, t_emission::phots, phycon, t_quantumState::Pop, t_emission::PopOpc, COmole_rate_s::rate_species, COmole_rate_s::rk, t_mole::sink, t_mole::source, t_phycon::te, thermal, trace, t_emission::xIntensity, t_dense::xIonDense, and t_mole::xMoleChTrRate.
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| double CO_findrate | ( | const char | buf[] | ) |
Definition at line 552 of file mole_co_etc.cpp.
References CO_findrate_s(), DEBUG_ENTRY, molecule::hevmol, COmole_rate_s::nrates, COmole_rate_s::rate_species, and COmole_rate_s::rk.
Referenced by CoolOxyg(), and lines_lv1_li_ne().
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| struct COmole_rate_s* CO_findrate_s | ( | const char | buf[] | ) |
Definition at line 523 of file mole_co_etc.cpp.
References DEBUG_ENTRY, lookup(), mole_priv, data_u::p, and mole_priv_s::reactab.
Referenced by CO_drive(), CO_findrate(), and CO_findrk().
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| double CO_findrk | ( | const char | buf[] | ) |
Definition at line 536 of file mole_co_etc.cpp.
References ASSERT, CO_findrate_s(), DEBUG_ENTRY, isnan, and COmole_rate_s::rk.
Referenced by IonIron(), and IonMagne().
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| void CO_Init | ( | void | ) |
called from cdInit to initialized co routines
Definition at line 44 of file mole_co_etc.cpp.
References ACTIVE, molecule::active, ASSERT, co, t_co::co_nzone, COmole, DEBUG_ENTRY, dense, t_dense::eden_f, ELECTRON_MASS, element_list, mole_priv_s::elemtab, gv, molecule::hevcol, molecule::hevmol, hmi, t_hmi::Hmolec, molecule::index, ipCARBON, ipCHLORINE, ipHELIUM, ipHYDROGEN, ipIRON, ipMAGNESIUM, ipMH2g, ipMH2p, ipMH2s, ipMH3p, ipMHm, ipNITROGEN, ipOXYGEN, ipSILICON, ipSULPHUR, isactive(), ispassive(), t_co::iteration_co, t_gv::lgDustOn, t_mole::lgElem_in_chemistry, t_mole::lgGrain_mole_deplete, LIMELM, makeplist(), MALLOC, mole, molecule::mole_mass, mole_priv, MOLECULE, molecule::n_nuclei, molecule::nElec, molecule::nelem_hevmol, newelement(), newhash(), newspecies(), null_mole, t_mole::num_comole_calc, t_mole::num_comole_tot, t_mole::num_elements, OTHER, PASSIVE, mole_priv_s::reactab, mole_priv_s::spectab, and t_dense::xIonDense.
Referenced by InitSimPostparse().
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| void CO_punch_mol | ( | FILE * | punit, | |
| const char | chSpecies[], | |||
| char | header[], | |||
| double | depth | |||
| ) |
Definition at line 748 of file mole_co_etc.cpp.
References coreactions, DEBUG_ENTRY, findspecies(), t_coreactions::list, t_coreactions::n, and COmole_rate_s::rate_species.
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| double CO_sink_rate | ( | const char | chSpecies[] | ) |
Referenced by iso_ionize_recombine().
| double CO_source_rate | ( | const char | chSpecies[] | ) |
Referenced by iso_ionize_recombine().
| void CO_update_rks | ( | void | ) |
CO_update_rks update rate coefficients, only temp part
Definition at line 652 of file mole_co_etc.cpp.
References COmole_rate_s::a, coreactions, DEBUG_ENTRY, COmole_rate_s::fun, t_coreactions::list, t_coreactions::n, and COmole_rate_s::rk.
| void CO_update_species_cache | ( | void | ) |
Definition at line 572 of file mole_co_etc.cpp.
References ASSERT, COmole, DEBUG_ENTRY, dense, t_dense::eden, t_dense::eden_f, molecule::hevmol, isnan, molecule::location, mole, and t_mole::num_comole_tot.
| void CO_zero | ( | void | ) |
CO_zero allocate + initialize workspace
Definition at line 817 of file mole_co_etc.cpp.
References t_timesc::AgeCOMoleDest, cdEXIT, COmole, DEBUG_ENTRY, molecule::hevcol, molecule::hevmol, ioQQQ, lgFirstCall, MALLOC, mole, t_mole::num_comole_calc, t_mole::num_comole_tot, timesc, and molecule::xMoleFracMax.
Referenced by InitSimPostparse().
| struct molecule* findspecies | ( | const char | buf[] | ) |
Definition at line 495 of file mole_co_etc.cpp.
References DEBUG_ENTRY, lookup(), mole_priv, null_mole, data_u::p, and mole_priv_s::spectab.
Referenced by AgeCheck(), atmol_popsolve(), cdColm(), CO_dissoc_rate(), CO_punch_mol(), CO_sink_rate(), CO_source_rate(), DynaPunchTimeDep(), and newreact().
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Referenced by advection_set_detault(), ChargTranEval(), CO_create_react(), CO_drive(), CO_Init(), ConvBase(), ConvIoniz(), eden_sum(), H2_X_coll_rate_evaluate(), hmole_reactions(), IonCarbo(), IonIron(), IonMagne(), IonNitro(), IonOxyge(), IonSilic(), IonSulph(), lgMolecAver(), lines_lv1_li_ne(), lines_molecules(), noneq_offset(), ParseDont(), ParseSet(), th85rate(), and zero().
Referenced by ChemImportance(), CO_drive(), CO_Init(), CO_update_species_cache(), CO_zero(), DynaStartZone(), eden_sum(), HeatSum(), iter_end_check(), IterRestart(), lgMolecAver(), molcol(), and RT_tau_reset().
Referenced by atmdat_readin(), ChemImportance(), CO_create_react(), CO_drive(), CO_Init(), CO_solve(), CO_step(), CO_update_species_cache(), CO_zero(), DynaCreateArrays(), DynaIonize(), DynaNewStep(), DynaSaveLast(), DynaStartZone(), eden_sum(), H2_Accel(), H2_CollidRateEvalAll(), H2_CollidRateEvalOne(), H2_CollidRateRead(), H2_ContPoint(), H2_Cooling(), H2_Create(), H2_gs_rates(), H2_Init(), H2_Level_low_matrix(), H2_LevelPops(), H2_LineZero(), H2_Prt_line_tau(), H2_Punch_line_data(), H2_PunchLineStuff(), H2_RadPress(), H2_Reset(), H2_RT_tau_inc(), H2_RT_tau_reset(), H2_RTMake(), H2_Solomon_rate(), H2_X_coll_rate_evaluate(), H2_Zero(), H2_zero_pops_too_low(), HeatSum(), hmole(), InitCoreload(), InitDefaultsPreparse(), ion_solver(), ion_trim(), iter_end_check(), IterRestart(), lgMolecAver(), molcol(), mole_H2_LTE(), newspecies(), ParseAtomH2(), ParseDont(), ParseSet(), and RT_tau_reset().
this includes the atomic and first ionized species of each element that can combine to form molecules. This is the number of molecules, ions, and atoms that the co network uses This is used in comole to improve the calculation, as deep in molecular regions reactions with molecules can be important to the ionization balance
Definition at line 40 of file mole_co_etc.cpp.
Referenced by atmol_popsolve(), CO_Init(), findspecies(), and newreact().
1.4.7