grains.h File Reference

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Functions
void	GrainDrive ()
void	GrainDrift ()
void	GrainStartIter ()
void	GrainRestartIter ()
void	SetNChrgStates (long)
void	GrainsInit ()
void	GrainMakeDiffuse ()
void	qheat (vector< double > &, vector< double > &, long *, size_t)
void	InitEnthalpy ()
bool	lgValidRfiFile (const string &fnam)
bool	lgValidMixFile (const string &fnam)
bool	lgValidSzdFile (const string &fnam)
bool	lgValidOpcFile (const string &fnam)
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

References cdEXIT, DEBUG_ENTRY, EXIT_FAILURE, fprintf(), 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[]

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[]

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

Referenced by DebyeDeriv(), and mie_integrate().

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GrainDrift()

void GrainDrift

(

)

GrainDrift computes grains drift velocity

References ASSERT, DEBUG_ENTRY, dense, fprintf(), gv, ioQQQ, ipHELIUM, ipHYDROGEN, phycon, POW2, POW3, rfield, and trace.

Referenced by ConvPresTempEdenIoniz().

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GrainDrive()

void GrainDrive

(

)

GrainDrive main routine to converge grains thermal solution

References chrg2pot(), conv, DEBUG_ENTRY, dense, fp_equal(), fprintf(), GrainChargeTemp(), GrainUpdateRadius1(), GrainUpdateRadius2(), gv, hmi, ioQQQ, ipHYDROGEN, LIMELM, nzone, phycon, SDIV(), thermal, and trace.

Referenced by ConvBase(), and mole_h2_grain_form().

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GrainMakeDiffuse()

void GrainMakeDiffuse

(

)

main routine for generating the grain diffuse emission

References ASSERT, CONSERV_TOL, avx_ptr< T, lgBC >::data(), DEBUG_ENTRY, dense, get_ptr(), GrainMakeDiffuseSingle(), gv, hmi, ipHYDROGEN, max(), MAX2, NQGRID, pow2, qheat(), rfield, STRG_CAR, STRG_SIL, thermal, and TotalInsanity().

Referenced by RT_diffuse().

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GrainRestartIter()

void GrainRestartIter

(

)

this routine is called by IterRestart()

References DEBUG_ENTRY, and gv.

Referenced by IterRestart().

GrainsInit()

void GrainsInit

(

)

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) ????

References flex_arr< T, lgBC >::alloc(), ASSERT, atoms, ShellData::AvNr, cdEXIT, CHRG_TOLER, conv, DEBUG_ENTRY, dense, DF_STANDARD, elec_esc_length(), elementnames, ENABLE_QUANTUM_HEATING, ShellData::Ener, EXIT_FAILURE, fprintf(), GetPotValues(), GrnStdDpth(), gv, HEAT_TOLER, HEAT_TOLER_BIN, INCL_TUNNEL, InitBinAugerData(), InitEmissivities(), InitEnthalpy(), ioQQQ, ipHYDROGEN, ipLITHIUM, ShellData::ipLo, LIMELM, MAT_PAH, MAT_PAH2, MAX2, NCHU, ShellData::nData, ShellData::nelem, nint(), ShellData::ns, ShellData::p, POW2, powpq(), ReadAugerData(), flex_arr< T, lgBC >::reserve(), rfield, STICK_ELEC, thermal, TorF(), trace, ShellData::y01, ShellData::y01A, ZMIN_CAR, and ZMIN_SIL.

Referenced by OpacityCreateAll().

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GrainStartIter()

void GrainStartIter

(

)

this routine is called by IterStart()

References DEBUG_ENTRY, and gv.

Referenced by IterStart().

InitEnthalpy()

void InitEnthalpy

(

)

initialize interpolation arrays for grain enthalpy

References DEBUG_ENTRY, GRAIN_TMIN, gv, log_integral(), NDEMS, spline(), tlim, uderiv(), and vlog().

Referenced by GrainsInit().

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lgValidMixFile()

bool lgValidMixFile

(

const string &

fnam

)

check validity of a mixed medium file by checking the magic number

References lgValidXXXFile(), and MAGIC_MIX.

Referenced by ParseGrain().

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lgValidOpcFile()

bool lgValidOpcFile

(

const string &

fnam

)

check validity of an opacity file by checking the magic number

References lgValidXXXFile(), and MAGIC_OPC.

Referenced by ParseGrain().

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lgValidRfiFile()

bool lgValidRfiFile

(

const string &

fnam

)

check validity of a refractive index file by checking the magic number

References lgValidXXXFile(), and MAGIC_RFI.

Referenced by ParseGrain().

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lgValidSzdFile()

bool lgValidSzdFile

(

const string &

fnam

)

check validity of a size distribution file by checking the magic number

References lgValidXXXFile(), and MAGIC_SZD.

Referenced by ParseGrain().

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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

References ASSERT, called, cdEXIT, cpu, DEBUG_ENTRY, dense, GrainPar::dep, EXIT_FAILURE, fp_equal_tol(), fprintf(), gv, ioQQQ, LABELSIZE, GrainPar::lgForbidQHeating, GrainPar::lgGreyGrain, GrainPar::lgRequestQHeating, LIMELM, MAGIC_OPC, mie_next_data(), mie_next_line(), mie_read_number(), mie_read_word(), min(), GrainPar::nDustFunc, NULL, open_data(), pow2, rfield, and strstr_s().

Referenced by 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

References grain_data::abun, sd_data::area, grain_data::atom_weight, grain_data::bandgap, car1_fun(), car2_fun(), car3_fun(), grain_data::cAxis, cdEXIT, grain_data::charge, grain_data::clear(), sd_data::clim, multi_arr< T, d, ALLOC, lgBC >::clone(), sd_data::cPart, cpu, DEBUG_ENTRY, grain_data::depl, elementnames, grain_data::elmAbun, EXIT_FAILURE, fprintf(), frac(), gv, IAL_CAR, IAL_SIL, Singleton< t_version >::Inst(), ioQQQ, ipBHi, ipBLo, LABELSUB1, LABELSUB2, sd_data::lgLogScale, sd_data::lim, LIMELM, grain_data::magic, sd_data::magic, MAGIC_OPC, grain_data::matType, max(), mie_auxiliary(), mie_auxiliary2(), mie_calc_ial(), mie_cs(), mie_cs_size_distr(), mie_read_ocn(), mie_read_rfi(), mie_read_szd(), mie_repair(), min(), grain_data::mol_weight, grain_data::nAxes, grain_data::norm, sd_data::nPart, OPC_GREY, OPC_PAH1, OPC_PAH2C, OPC_PAH2N, OPC_PAH3C, OPC_PAH3N, OPC_TABLE, open_data(), POW4, radius, sd_data::radius, RFI_TABLE, rfield, grain_data::rfiType, grain_data::rho, SD_NR_CARBON, SD_SINGLE_SIZE, sd_data::sdCase, size_distr(), grain_data::subl_temp, tbl_fun(), grain_data::therm_eff, TotalInsanity(), sd_data::unity, sd_data::unity_bin, sd_data::vol, 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()

References ASSERT, DEBUG_ENTRY, gv, and NCHU.

Referenced by ParseSet().