grains.h File Reference

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Functions
void	GrainDrive (void)
void	GrainDrift (void)
void	GrainZero (void)
void	GrainStartIter (void)
void	GrainRestartIter (void)
void	SetNChrgStates (long)
void	GrainsInit (void)
void	GrainMakeDiffuse (void)
void	qheat (vector< double > &, vector< double > &, long *, size_t)
void	InitEnthalpy (void)
void	mie_write_opc (const char *, const char *, long int)
void	mie_read_opc (const char *, const GrainPar &)
void	gauss_init (long int, double, double, const vector< double > &, const vector< double > &, vector< double > &, vector< double > &)
void	gauss_legendre (long int, vector< double > &, vector< double > &)
void	find_arr (double, const vector< double > &, long int, long int *, bool *)

Function Documentation

find_arr()

void find_arr	(	double	x,
		const vector< double > &	xa,
		long int	n,
		long int *	ind,
		bool *	lgOutOfBounds
	)

find index ind such that min(xa[ind],xa[ind+1]) <= x <= max(xa[ind],xa[ind+1]). xa is assumed to be strictly monotically increasing or decreasing. if x is outside the range spanned by xa, lgOutOfBounds is raised and ind is set to -1 n is the number of elements in xa.

Parameters

	x
	xa[]
	n
[out]	*ind
[out]	*lgOutOfBounds

Definition at line 4563 of file grains_mie.cpp.

References cdEXIT, DEBUG_ENTRY, EXIT_FAILURE, ioQQQ, max(), min(), and sign3().

Referenced by init_eps(), mie_calc_ial(), mie_cs(), size_distr(), and tbl_fun().

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gauss_init()

void gauss_init	(	long int	nn,
		double	xbot,
		double	xtop,
		const vector< double > &	x,
		const vector< double > &	a,
		vector< double > &	rr,
		vector< double > &	ww
	)

set up Gaussian quadrature for arbitrary interval

Parameters

nn
xbot
xtop
x[]
a[]
rr[]
ww[]

Definition at line 4425 of file grains_mie.cpp.

References DEBUG_ENTRY.

Referenced by DebyeDeriv(), and mie_integrate().

gauss_legendre()

void gauss_legendre	(	long int	nn,
		vector< double > &	x,
		vector< double > &	a
	)

set up abscissas and weights for Gauss-Legendre intergration of arbitrary even order

Parameters

nn
x[]
a[]

Definition at line 4453 of file grains_mie.cpp.

References cdEXIT, DEBUG_ENTRY, EXIT_FAILURE, ioQQQ, pow2(), and SAFETY.

Referenced by DebyeDeriv(), and mie_integrate().

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GrainDrift()

void GrainDrift

(

void

)

GrainDrift computes grains drift velocity

Definition at line 4884 of file grains.cpp.

References t_rfield::anu, ASSERT, GrainVar::bin, BOLTZMANN, t_rfield::ConInterOut, DEBUG_ENTRY, dense, t_dense::eden, EN1RYD, t_rfield::flux, gv, ioQQQ, ipHELIUM, ipHYDROGEN, t_trace::lgDustBug, GrainVar::lgNegGrnDrg, t_trace::lgTrace, t_rfield::nflux, t_rfield::outlin, t_rfield::outlin_noplot, phycon, POW2, POW3, rfield, SPEEDLIGHT, t_phycon::sqrte, t_dense::SqrtEden, t_phycon::te, TE1RYD, trace, and t_dense::xIonDense.

Referenced by ConvPresTempEdenIoniz().

GrainDrive()

void GrainDrive

(

void

)

GrainDrive main routine to converge grains thermal solution

Definition at line 1591 of file grains.cpp.

References GrainVar::bin, chrg2pot(), conv, t_thermal::ctot, GrainVar::dclmax, DEBUG_ENTRY, dense, GrainVar::dphmax, t_dense::eden, t_conv::EdenErrorAllowed, EVRYD, fp_equal(), t_dense::gas_phase, GrainVar::GasCoolColl, GrainVar::GasHeatPhotoEl, GrainChargeTemp(), GrainVar::GrainChTrRate, GrainVar::GrainHeatChem, GrainVar::GrainHeatCollSum, GrainVar::GrainHeatDif, GrainVar::GrainHeatInc, GrainVar::GrainHeatLya, GrainVar::GrainHeatScaleFactor, GrainVar::GrainHeatSum, GrainUpdateRadius1(), GrainUpdateRadius2(), GrainVar::GrnElecDonateMax, GrainVar::GrnElecHoldMax, gv, t_thermal::heating, hmi, ioQQQ, ipHYDROGEN, GrainVar::lgAnyDustVary, GrainVar::lgBakesPAH_heat, GrainVar::lgDustOn(), GrainVar::lgGrainPhysicsOn, GrainVar::lgReevaluate, t_conv::lgSearch, LIMELM, nCalledGrainDrive, t_trace::nTrConvg, nzone, phycon, SDIV(), t_phycon::te, thermal, GrainVar::TotalDustHeat, GrainVar::TotalEden, trace, and t_hmi::UV_Cont_rel2_Habing_TH85_depth.

Referenced by ConvBase(), and mole_h2_grain_form().

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GrainMakeDiffuse()

void GrainMakeDiffuse

(

void

)

main routine for generating the grain diffuse emission

Definition at line 170 of file grains_qheat.cpp.

References t_rfield::anu, t_rfield::anu2, ASSERT, GrainVar::bin, CONSERV_TOL, t_thermal::ConstGrainTemp, DEBUG_ENTRY, dense, GrainVar::dstAbundThresholdFar, GrainVar::dstAbundThresholdNear, EN1RYD, FR1RYD, GrainVar::GasCoolColl, GrainVar::GrainEmission, GrainVar::GrainHeatChem, GrainVar::GrainHeatScaleFactor, GrainVar::GrainHeatSum, GrainVar::GraphiteEmission, gv, t_hmi::H2_total, t_thermal::heating, hmi, ipHYDROGEN, lgAbort, GrainVar::lgBakesPAH_heat, GrainVar::lgDColOn, GrainVar::lgDHetOn, MAX2, t_rfield::nflux, NQGRID, PI4, POW2, qheat(), rfield, GrainVar::SilicateEmission, SPEEDLIGHT, STRG_CAR, STRG_SIL, TE1RYD, thermal, TotalInsanity(), GrainVar::which_strg, t_rfield::widflx, and t_dense::xIonDense.

Referenced by RT_diffuse().

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GrainRestartIter()

void GrainRestartIter

(

void

)

this routine is called by IterRestart()

Definition at line 551 of file grains.cpp.

References GrainVar::bin, DEBUG_ENTRY, gv, GrainVar::lgDustOn(), and GrainVar::lgGrainPhysicsOn.

Referenced by IterRestart().

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GrainsInit()

void GrainsInit

(

void

)

startup routine for grains, called before first calculations, but after parsecommands

Todo:

xray - StickElec depends on Te ???? use elec_esc_length(1.5*kTe,nd) ????

Definition at line 583 of file grains.cpp.

References t_rfield::anu, GrainVar::anumax, GrainVar::anumin, ASSERT, ATOMIC_MASS_UNIT, atoms, GrainVar::AugerData, AEInfo::AvNumber, GrainVar::bin, cdEXIT, t_elementnames::chElementName, chrg2pot(), CHRG_TOLER, t_thermal::ConstGrainTemp, conv, DEBUG_ENTRY, dense, DF_STANDARD, GrainVar::dstab, GrainVar::dstsc, t_conv::EdenErrorAllowed, elec_esc_length(), elementnames, GrainVar::elmSumAbund, AEInfo::Energy, EVRYD, EXIT_FAILURE, t_dense::gas_phase, GrainVar::GasCoolColl, GetPotValues(), GrainVar::GrainEmission, GrainVar::GrainHeatCollSum, GrainVar::GrainHeatDif, GrainVar::GrainHeatInc, GrainVar::GrainHeatLya, GrainVar::GrainHeatSum, GrainVar::GrainMetal, GrainVar::GraphiteEmission, GrainVar::GrnRecomTe, GrnStdDpth(), gv, HEAT_TOLER, HEAT_TOLER_BIN, t_conv::HeatCoolRelErrorAllowed, t_thermal::heating, hunt_bisect(), INCL_TUNNEL, InitBinAugerData(), InitEmissivities(), InitEnthalpy(), AEInfo::IonThres, ioQQQ, ipHYDROGEN, ipLITHIUM, GrainVar::lgAnyDustVary, t_trace::lgDustBug, GrainVar::lgDustOn(), GrainVar::lgQHeatAll, GrainVar::lgQHeatOn, t_trace::lgTrace, GrainVar::lgWD01, LIMELM, MAT_PAH, MAT_PAH2, MAX2, NCHS, NCHU, AEInfo::nData, t_rfield::nflux, nint(), AEInfo::nSubShell, t_rfield::nupper, GrainVar::nzone, pot2chrg(), POW2, ReadAugerData(), rfield, GrainVar::SilicateEmission, STICK_ELEC, thermal, TorF(), trace, GrainVar::which_zmin, ZMIN_CAR, and ZMIN_SIL.

Referenced by OpacityCreateAll().

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GrainStartIter()

void GrainStartIter

(

void

)

this routine is called by IterStart()

Definition at line 513 of file grains.cpp.

References GrainVar::bin, GrainVar::dclmax, DEBUG_ENTRY, GrainVar::dphmax, GrainVar::GrnElecDonateMax, GrainVar::GrnElecHoldMax, gv, GrainVar::lgDustOn(), GrainVar::lgGrainPhysicsOn, GrainVar::lgNegGrnDrg, and GrainVar::TotalDustHeat.

Referenced by IterStart().

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GrainZero()

void GrainZero

(

void

)

this routine is called by zero(), so it should contain initializations that need to be done every time before the input lines get parsed

Definition at line 500 of file grains.cpp.

References GrainVar::clear(), DEBUG_ENTRY, and gv.

Referenced by zero().

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InitEnthalpy()

void InitEnthalpy

(

void

)

initialize interpolation arrays for grain enthalpy

Definition at line 2482 of file grains_qheat.cpp.

References GrainVar::bin, DEBUG_ENTRY, GrainVar::dsttmp, GRAIN_TMIN, gv, log_integral(), NDEMS, spline(), tlim, and uderiv().

Referenced by GrainsInit().

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mie_read_opc()

void mie_read_opc	(	const char *	chFile,
		const GrainPar &	gp
	)

read in the *.opc file with opacities and other relevant information

Parameters

*chFile
gp

Definition at line 1011 of file grains_mie.cpp.

References AS_DATA_LOCAL, ASSERT, t_dense::AtomicWeight, t_cpu_i::big_endian(), GrainVar::bin, called, cdEXIT, continuum, cpu, DEBUG_ENTRY, dense, GrainPar::dep, t_rfield::egamry, ELECTRIC_CONST, t_rfield::emm, EXIT_FAILURE, FILENAME_PATH_LENGTH_2, fp_equal(), gv, t_cpu::i(), ioQQQ, LABELSIZE, GrainPar::lgForbidQHeating, GrainPar::lgGreyGrain, GrainPar::lgRequestQHeating, t_called::lgTalk, LIMELM, MAGIC_OPC, t_continuum::mesh_md5sum, mie_next_data(), mie_next_line(), mie_read_double(), mie_read_long(), mie_read_realnum(), mie_read_word(), min(), GrainPar::nDustFunc, NMD5, open_data(), PI4, pow2(), GrainVar::ReadRecord, rfield, and strstr_s().

Referenced by ParseAbundances(), and ParseGrain().

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mie_write_opc()

void mie_write_opc	(	const char *	rfi_file,
		const char *	szd_file,
		long int	nbin
	)

mie_write_opc

Parameters

[in]	*rfi_file
[in]	*szd_file

Definition at line 272 of file grains_mie.cpp.

References grain_data::abun, t_rfield::anu, sd_data::area, AS_LOCAL_ONLY, grain_data::atom_weight, ATOMIC_MASS_UNIT, grain_data::bandgap, t_cpu_i::big_endian(), car1_fun(), car2_fun(), car3_fun(), grain_data::cAxis, cdEXIT, grain_data::charge, t_elementnames::chElementSym, grain_data::clear(), sd_data::clim, multi_arr< T, d, ALLOC, lgBC >::clone(), continuum, sd_data::cPart, cpu, DEBUG_ENTRY, grain_data::depl, t_rfield::egamry, elementnames, grain_data::elmAbun, t_rfield::emm, EXIT_FAILURE, FILENAME_PATH_LENGTH_2, gv, t_cpu::i(), IAL_CAR, IAL_SIL, Singleton< t_version >::Inst(), ioQQQ, ipBHi, ipBLo, LABELSIZE, LABELSUB1, LABELSUB2, sd_data::lgLogScale, sd_data::lim, LIMELM, sd_data::magic, grain_data::magic, MAGIC_OPC, grain_data::matType, max(), t_continuum::mesh_md5sum, mie_auxiliary(), mie_auxiliary2(), mie_calc_ial(), mie_cs(), mie_cs_size_distr(), mie_read_mix(), mie_read_rfi(), mie_read_szd(), mie_repair(), min(), grain_data::mol_weight, grain_data::nAxes, grain_data::norm, sd_data::nPart, t_rfield::nupper, OPC_GREY, OPC_PAH1, OPC_PAH2C, OPC_PAH2N, OPC_PAH3C, OPC_PAH3N, OPC_TABLE, open_data(), POW4, sd_data::radius, radius, t_continuum::ResolutionScaleFactor, RFI_TABLE, rfield, grain_data::rfiType, grain_data::rho, SD_NR_CARBON, SD_SINGLE_SIZE, sd_data::sdCase, ShowMe(), size_distr(), strstr_s(), grain_data::subl_temp, tbl_fun(), grain_data::therm_eff, sd_data::unity, sd_data::unity_bin, sd_data::vol, WAVNRYD, GrainVar::which_ial, grain_data::work, and grain_data::wt.

Referenced by ParseCompile().

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qheat()

void qheat	(	vector< double > &	,
		vector< double > &	,
		long *	,
		size_t
	)

main routine for quantum heating

Referenced by mole_h2_grain_form().

SetNChrgStates()

void SetNChrgStates

(

long

nChrg

)

this routine is called by ParseSet()

Definition at line 570 of file grains.cpp.

References ASSERT, DEBUG_ENTRY, gv, GrainVar::nChrgRequested, and NCHU.

Referenced by ParseSet().