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grains.cpp File Reference
#include "cddefines.h"
#include "atmdat.h"
#include "atmdat_adfa.h"
#include "rfield.h"
#include "hmi.h"
#include "trace.h"
#include "conv.h"
#include "ionbal.h"
#include "thermal.h"
#include "phycon.h"
#include "doppvel.h"
#include "heavy.h"
#include "ipoint.h"
#include "elementnames.h"
#include "grainvar.h"
#include "grains.h"
#include "iso.h"
#include "mole.h"
#include "dense.h"
#include "vectorize.h"
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Macros

#define FREE_CHECK(PTR)   { ASSERT( PTR != NULL ); free( PTR ); PTR = NULL; }
 
#define FREE_SAFE(PTR)   { if( PTR != NULL ) free( PTR ); PTR = NULL; }
 

Functions

double one_elec (long nd)
 
double pot2chrg (double x, long nd)
 
double chrg2pot (double x, long nd)
 
double elec_esc_length (double e, long nd)
 
STATIC void ReadAugerData ()
 
STATIC void InitBinAugerData (size_t, long, long)
 
STATIC void GetNextLine (const char *, FILE *, char[])
 
STATIC void InitEmissivities ()
 
STATIC double PlanckIntegral (double, size_t, long)
 
STATIC void NewChargeData (long)
 
STATIC double GrnStdDpth (long)
 
STATIC void GrainChargeTemp ()
 
STATIC void GrainCharge (size_t, double *)
 
STATIC double GrainElecRecomb1 (size_t, long, double *, double *)
 
STATIC double GrainElecEmis1 (size_t, long, double *, double *, double *, double *)
 
STATIC void GrainScreen (long, size_t, long, double *, double *)
 
STATIC double ThetaNu (double)
 
STATIC void UpdatePot (size_t, long, long, double[], double[])
 
STATIC void GetFracPop (size_t, long, double[], double[], long *)
 
STATIC void UpdatePot1 (size_t, long, long, long)
 
STATIC void UpdatePot2 (size_t, long)
 
STATIC void Yfunc (long, long, const realnum[], const realnum[], const realnum[], double, const double[], const double[], realnum[], realnum[], realnum[], realnum[], long, long)
 
STATIC void Yfunc (long, long, const realnum[], const realnum[], double, double, double, realnum[], realnum[], realnum[], realnum[], long, long)
 
STATIC void y0b (size_t, long, realnum[], long, long)
 
STATIC void y0b01 (size_t, long, realnum[], long, long)
 
STATIC double y0psa (size_t, long, long, double)
 
STATIC double y1psa (size_t, long, double)
 
void y2pa (double, const double[], long, realnum[], realnum[], long, long)
 
void y2s (double, const double[], long, const realnum[], realnum[], realnum[], long, long)
 
STATIC void UpdateRecomZ0 (size_t, long)
 
STATIC void GetPotValues (size_t, long, double *, double *, double *, double *, double *, double *, bool)
 
STATIC void GrainIonColl (size_t, long, long, long, const double[], const double[], long *, realnum *, realnum *)
 
STATIC void GrainChrgTransferRates (long)
 
STATIC void GrainUpdateRadius1 ()
 
STATIC void GrainUpdateRadius2 ()
 
STATIC void GrainTemperature (size_t, realnum *, double *, double *, double *)
 
STATIC void PE_init (size_t, long, long, double *, double *, double *, double *, double *, double *, double *)
 
STATIC void GrainCollHeating (size_t, realnum *, realnum *)
 
STATIC double GrnVryDpth (size_t)
 
void GrainZero ()
 
void GrainStartIter ()
 
void GrainRestartIter ()
 
void SetNChrgStates (long nChrg)
 
void GrainsInit ()
 
STATIC double PlanckIntegral (double tdust, size_t nd, long int ip)
 
STATIC double GrnStdDpth (long int nd)
 
void GrainDrive ()
 
STATIC void GrainIonColl (size_t nd, long int nz, long int nelem, long int ion, const double phi_s_up[], const double phi_s_dn[], long *Z0, realnum *ChEn, realnum *ChemEn)
 
void GrainDrift ()
 

Variables

static const long MAGIC_AUGER_DATA = 20060126L
 
static const bool INCL_TUNNEL = true
 
static const bool NO_TUNNEL = false
 
static long int nCalledGrainDrive
 
static const long NTOP = NDEMS/5
 
static const double TOLER = CONSERV_TOL/10.
 
static const long BRACKET_MAX = 50L
 
static const long CT_LOOP_MAX = 25L
 
static const long T_LOOP_MAX = 50L
 
static double HEAT_TOLER = DBL_MAX
 
static double HEAT_TOLER_BIN = DBL_MAX
 
static double CHRG_TOLER = DBL_MAX
 
static const double AC0 = 3.e-9
 
static const double AC1G = 4.e-8
 
static const double AC2G = 7.e-8
 
static const double ETILDE = 2.*SQRT2/EVRYD
 
static const double INV_ETILDE = 1./ETILDE
 
static const double THERMCONST = PI4*ELECTRON_MASS*POW2(BOLTZMANN)/POW3(HPLANCK)
 
static const double STICK_ELEC = 0.5
 
static const double STICK_ION = 1.0
 

Macro Definition Documentation

#define FREE_CHECK (   PTR)    { ASSERT( PTR != NULL ); free( PTR ); PTR = NULL; }

Definition at line 31 of file grains.cpp.

#define FREE_SAFE (   PTR)    { if( PTR != NULL ) free( PTR ); PTR = NULL; }

Definition at line 32 of file grains.cpp.

Function Documentation

double chrg2pot ( double  x,
long  nd 
)
inline

convert grain charge in electrons into potential in Ryd

Definition at line 100 of file grains.cpp.

References one_elec().

Referenced by GetPotValues(), GrainCharge(), GrainDrive(), and UpdatePot1().

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double elec_esc_length ( double  e,
long  nd 
)
inline

mean pathlength travelled by electrons inside the grain, in cm (Eq. 11 of WDB06)

Definition at line 107 of file grains.cpp.

References GrainVar::bin, gv, and powpq().

Referenced by GrainsInit(), y0psa(), y1psa(), and Yfunc().

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STATIC void GetFracPop ( size_t  nd,
long  Zlo,
double  rate_up[],
double  rate_dn[],
long *  newZlo 
)

Definition at line 2934 of file grains.cpp.

References ASSERT, GrainVar::bin, cdEXIT, DEBUG_ENTRY, EXIT_FAILURE, fnzone, fprintf(), gv, ioQQQ, MAX2, NCHU, safe_div(), ShowMe(), x1, and x2.

Referenced by GrainCharge().

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STATIC void GetNextLine ( const char *  chFile,
FILE *  io,
char  chLine[] 
)

Definition at line 1276 of file grains.cpp.

References cdEXIT, DEBUG_ENTRY, EXIT_FAILURE, FILENAME_PATH_LENGTH_2, fprintf(), ioQQQ, read_whole_line(), and strstr_s().

Referenced by ReadAugerData().

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STATIC void GetPotValues ( size_t  nd,
long  Zg,
double *  ThresInf,
double *  ThresInfVal,
double *  ThresSurf,
double *  ThresSurfVal,
double *  PotSurf,
double *  Emin,
bool  lgUseTunnelCorr 
)

Definition at line 3946 of file grains.cpp.

References AC0, AC1G, AC2G, GrainVar::bin, cdEXIT, chrg2pot(), DEBUG_ENTRY, EXIT_FAILURE, fprintf(), gv, ioQQQ, MAX2, one_elec(), POT_CAR, POT_SIL, ThetaNu(), and GrainVar::which_pot.

Referenced by GrainIonColl(), GrainsInit(), UpdatePot1(), and UpdateRecomZ0().

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STATIC void GrainCharge ( size_t  nd,
double *  ThermRatio 
)
STATIC void GrainChargeTemp ( )
STATIC void GrainChrgTransferRates ( long  nd)
STATIC void GrainCollHeating ( size_t  nd,
realnum dcheat,
realnum dccool 
)
void GrainDrift ( )
void GrainDrive ( )
STATIC double GrainElecEmis1 ( size_t  nd,
long  nz,
double *  sum1a,
double *  sum1b,
double *  sum2,
double *  sum3 
)
STATIC double GrainElecRecomb1 ( size_t  nd,
long  nz,
double *  sum1,
double *  sum2 
)
STATIC void GrainIonColl ( size_t  ,
long  ,
long  ,
long  ,
const double  [],
const double  [],
long *  ,
realnum ,
realnum  
)

Referenced by UpdateRecomZ0().

STATIC void GrainIonColl ( size_t  nd,
long int  nz,
long int  nelem,
long int  ion,
const double  phi_s_up[],
const double  phi_s_dn[],
long *  Z0,
realnum ChEn,
realnum ChemEn 
)

Definition at line 4038 of file grains.cpp.

References t_mesh::anu(), GrainVar::bin, DEBUG_ENTRY, GetPotValues(), gv, Heavy, t_Heavy::ipHeavy, NO_TUNNEL, rfield, and save.

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void GrainRestartIter ( )

this routine is called by IterRestart()

Definition at line 528 of file grains.cpp.

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

Referenced by IterRestart().

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STATIC void GrainScreen ( long  ion,
size_t  nd,
long  nz,
double *  eta,
double *  xi 
)

Definition at line 2718 of file grains.cpp.

References ASSERT, GrainVar::bin, DEBUG_ENTRY, gv, LIMELM, MIN2, phycon, POW2, powpq(), t_phycon::te, and ThetaNu().

Referenced by GrainChrgTransferRates(), GrainCollHeating(), GrainElecEmis1(), and GrainElecRecomb1().

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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) ????

Definition at line 558 of file grains.cpp.

References t_mesh::anu(), ASSERT, atoms, GrainVar::AugerData, AEInfo::AvNumber, GrainVar::bin, cdEXIT, t_elementnames::chElementName, CHRG_TOLER, t_thermal::ConstGrainTemp, conv, DEBUG_ENTRY, dense, DF_STANDARD, GrainVar::dstab, GrainVar::dstsc, t_conv::EdenErrorAllowed, t_mesh::egamry(), elec_esc_length(), elementnames, GrainVar::elmSumAbund, t_mesh::emm(), ENABLE_QUANTUM_HEATING, AEInfo::Energy, EXIT_FAILURE, fprintf(), 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, INCL_TUNNEL, InitBinAugerData(), InitEmissivities(), InitEnthalpy(), AEInfo::IonThres, ioQQQ, ipHYDROGEN, ipLITHIUM, t_mesh::ithreshC(), 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_with_check, nint(), t_rfield::nPositive, AEInfo::nSubShell, GrainVar::nzone, POW2, powpq(), ReadAugerData(), rfield, t_thermal::setHeating(), GrainVar::SilicateEmission, STICK_ELEC, thermal, TorF(), trace, GrainVar::which_zmin, ZMIN_CAR, and ZMIN_SIL.

Referenced by OpacityCreateAll().

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void GrainStartIter ( )
STATIC void GrainTemperature ( size_t  nd,
realnum dccool,
double *  hcon,
double *  hots,
double *  hla 
)
STATIC void GrainUpdateRadius1 ( )

Definition at line 4161 of file grains.cpp.

References ASSERT, GrainVar::bin, DEBUG_ENTRY, dense, GrainVar::elmSumAbund, t_dense::gas_phase, GrainVar::GrainMetal, GrnStdDpth(), gv, ipHYDROGEN, and LIMELM.

Referenced by GrainChargeTemp(), and GrainDrive().

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STATIC void GrainUpdateRadius2 ( )
void GrainZero ( )

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 479 of file grains.cpp.

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

Referenced by zero().

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STATIC double GrnStdDpth ( long  )

Referenced by GrainsInit(), and GrainUpdateRadius1().

STATIC double GrnStdDpth ( long int  nd)
STATIC double GrnVryDpth ( size_t  nd)

Definition at line 5086 of file grains.cpp.

References GrainVar::bin, cdEXIT, DEBUG_ENTRY, dense, EXIT_FAILURE, fprintf(), t_dense::gas_phase, gv, ioQQQ, ipHYDROGEN, max(), and t_dense::xIonDense.

Referenced by GrnStdDpth().

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STATIC void InitBinAugerData ( size_t  nd,
long  ipBegin,
long  ipEnd 
)

initialize the Auger data for grain bin nd between index ipBegin <= i < ipEnd

Todo:
xray - Compton recoil still needs to be added here

Definition at line 1129 of file grains.cpp.

References t_mesh::anu(), GrainVar::AugerData, ShellData::AvNr, GrainVar::bin, flex_arr< T, lgBC >::clear(), DEBUG_ENTRY, ShellData::Ener, gv, Heavy, Singleton< t_ADfA >::Inst(), ShellData::ionPot, ipHYDROGEN, ShellData::ipLo, GrainVar::lgWD01, LIMELM, max(), MAX2, ShellData::nData, t_Heavy::nsShells, AEInfo::nSubShell, t_ADfA::phfit(), flex_arr< T, lgBC >::realloc(), rfield, ShellData::y01, ShellData::y01A, y0psa(), y1psa(), and flex_arr< T, lgBC >::zero().

Referenced by GrainsInit(), and UpdatePot().

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STATIC void InitEmissivities ( )
STATIC void NewChargeData ( long  nd)
Todo:
2 should any of the following 3 statements be removed?

Definition at line 1467 of file grains.cpp.

References GrainVar::bin, DEBUG_ENTRY, fp_equal(), GrainVar::GrnRecomTe, gv, LIMELM, NCHS, nzone, GrainVar::nzone, phycon, and t_phycon::te.

Referenced by GrainChargeTemp().

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double one_elec ( long  nd)
inline

evaluate e^2/a, the potential of one electron

Definition at line 87 of file grains.cpp.

References GrainVar::bin, and gv.

Referenced by chrg2pot(), GetPotValues(), and pot2chrg().

STATIC void PE_init ( size_t  nd,
long  nz,
long  i,
double *  cs1,
double *  cs2,
double *  cs_tot,
double *  cool1,
double *  cool2,
double *  ehat1,
double *  ehat2 
)
STATIC double PlanckIntegral ( double  ,
size_t  ,
long   
)

Referenced by InitEmissivities().

STATIC double PlanckIntegral ( double  tdust,
size_t  nd,
long int  ip 
)
double pot2chrg ( double  x,
long  nd 
)
inline

convert grain potential in Ryd to charge in electrons

Definition at line 93 of file grains.cpp.

References one_elec().

Referenced by GrainCharge().

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STATIC void ReadAugerData ( )
void SetNChrgStates ( long  )

this routine is called by ParseSet()

Definition at line 545 of file grains.cpp.

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

Referenced by ParseSet().

STATIC double ThetaNu ( double  nu)

Definition at line 2794 of file grains.cpp.

References DEBUG_ENTRY, and POW2.

Referenced by GetPotValues(), and GrainScreen().

STATIC void UpdatePot ( size_t  nd,
long  Zlo,
long  stride,
double  rate_up[],
double  rate_dn[] 
)
STATIC void UpdatePot1 ( size_t  nd,
long  nz,
long  Zg,
long  ipStart 
)
Todo:
xray - secondaries from incident electrons still need to be added in
Todo:
xray - primary, secondary, auger electrons need to be added into suprathermals

Definition at line 3075 of file grains.cpp.

References t_mesh::anuptr(), ASSERT, ShellData::AvNr, GrainVar::bin, chrg2pot(), DEBUG_ENTRY, ShellData::Ener, GetPotValues(), gv, INCL_TUNNEL, ShellData::ionPot, ShellData::ipLo, t_mesh::ithreshC(), LIMELM, max(), MAX2, min(), ShellData::nData, t_rfield::nflux, t_rfield::nflux_with_check, NO_TUNNEL, t_rfield::nPositive, ShellData::p, PE_init(), POW2, avx_ptr< T, lgBC >::ptr0(), flex_arr< T, lgBC >::ptr0(), rfield, UpdateRecomZ0(), ShellData::y01, ShellData::y01A, y0b(), and Yfunc().

Referenced by UpdatePot().

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STATIC void UpdatePot2 ( size_t  nd,
long  nz 
)

Definition at line 3385 of file grains.cpp.

References GrainVar::bin, DEBUG_ENTRY, gv, POW2, and THERMCONST.

Referenced by UpdatePot().

STATIC void UpdateRecomZ0 ( size_t  nd,
long  nz 
)

Definition at line 3915 of file grains.cpp.

References GrainVar::bin, DEBUG_ENTRY, dense, GetPotValues(), GrainIonColl(), gv, INCL_TUNNEL, t_dense::lgElmtOn, LIMELM, and NO_TUNNEL.

Referenced by UpdatePot1().

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STATIC void y0b ( size_t  nd,
long  nz,
realnum  yzero[],
long  ilo,
long  ihi 
)

Definition at line 3553 of file grains.cpp.

References t_mesh::anu(), ASSERT, GrainVar::bin, DEBUG_ENTRY, gv, t_mesh::ithreshC(), GrainVar::lgWD01, max(), min(), avx_ptr< T, lgBC >::ptr0(), rfield, vexp(), vlog(), and y0b01().

Referenced by UpdatePot1().

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STATIC void y0b01 ( size_t  nd,
long  nz,
realnum  yzero[],
long  ilo,
long  ihi 
)

Definition at line 3604 of file grains.cpp.

References t_mesh::anu(), GrainVar::bin, cdEXIT, DEBUG_ENTRY, EXIT_FAILURE, fprintf(), gv, ioQQQ, max(), PE_CAR, PE_SIL, rfield, and GrainVar::which_pe.

Referenced by y0b().

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STATIC double y0psa ( size_t  nd,
long  ns,
long  i,
double  Eel 
)

Definition at line 3641 of file grains.cpp.

References ASSERT, GrainVar::bin, DEBUG_ENTRY, elec_esc_length(), and gv.

Referenced by InitBinAugerData().

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STATIC double y1psa ( size_t  nd,
long  i,
double  Eel 
)

Definition at line 3670 of file grains.cpp.

References ASSERT, GrainVar::bin, DEBUG_ENTRY, elec_esc_length(), gv, pow2(), and pow3().

Referenced by InitBinAugerData().

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void y2pa ( double  Elo,
const double  Ehi[],
long  Zg,
realnum  Ehp[],
realnum  y2pr[],
long  ilo,
long  ihi 
)
inline

Definition at line 3696 of file grains.cpp.

References ASSERT, DEBUG_ENTRY, and pow3().

Referenced by Yfunc().

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void y2s ( double  Elo,
const double  Ehi[],
long  Zg,
const realnum  y2pr[],
realnum  Ehs[],
realnum  y2sec[],
long  ilo,
long  ihi 
)
inline

Definition at line 3747 of file grains.cpp.

References ASSERT, avx_ptr< T, lgBC >::data(), DEBUG_ENTRY, ETILDE, gv, INV_ETILDE, GrainVar::lgWD01, avx_ptr< T, lgBC >::ptr0(), vfast_asinh(), vsqrt(), and x2.

Referenced by Yfunc().

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STATIC void Yfunc ( long  nd,
long  nz,
const realnum  y0[],
const realnum  y1[],
const realnum  maxval[],
double  Elo,
const double  Ehi[],
const double  Eel[],
realnum  Yp[],
realnum  Ys[],
realnum  Ehp[],
realnum  Ehs[],
long  ilo,
long  ihi 
)

Definition at line 3402 of file grains.cpp.

References ASSERT, GrainVar::bin, cdEXIT, DEBUG_ENTRY, elec_esc_length(), EXIT_FAILURE, fprintf(), gv, ioQQQ, max(), min(), PE_CAR, PE_SIL, GrainVar::which_pe, y2pa(), and y2s().

Referenced by UpdatePot1().

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STATIC void Yfunc ( long  nd,
long  nz,
const realnum  y01[],
const realnum  maxval[],
double  Elo,
double  Ehi,
double  Eel,
realnum  Yp[],
realnum  Ys[],
realnum  Ehp[],
realnum  Ehs[],
long  ilo,
long  ihi 
)

Definition at line 3477 of file grains.cpp.

References ASSERT, GrainVar::bin, cdEXIT, DEBUG_ENTRY, elec_esc_length(), EXIT_FAILURE, fprintf(), gv, ioQQQ, max(), min(), PE_CAR, PE_SIL, avx_ptr< T, lgBC >::ptr0(), GrainVar::which_pe, y2pa(), and y2s().

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Variable Documentation

const double AC0 = 3.e-9
static

Definition at line 71 of file grains.cpp.

Referenced by GetPotValues().

const double AC1G = 4.e-8
static

Definition at line 72 of file grains.cpp.

Referenced by GetPotValues().

const double AC2G = 7.e-8
static

Definition at line 73 of file grains.cpp.

Referenced by GetPotValues().

const long BRACKET_MAX = 50L
static

Definition at line 51 of file grains.cpp.

Referenced by GrainCharge().

double CHRG_TOLER = DBL_MAX
static

Definition at line 64 of file grains.cpp.

Referenced by GrainChargeTemp(), and GrainsInit().

const long CT_LOOP_MAX = 25L
static

Definition at line 56 of file grains.cpp.

const double ETILDE = 2.*SQRT2/EVRYD
static

Definition at line 76 of file grains.cpp.

Referenced by y2s().

double HEAT_TOLER = DBL_MAX
static

Definition at line 62 of file grains.cpp.

Referenced by GrainChargeTemp(), and GrainsInit().

double HEAT_TOLER_BIN = DBL_MAX
static

Definition at line 63 of file grains.cpp.

Referenced by GrainChargeTemp(), and GrainsInit().

const bool INCL_TUNNEL = true
static

Definition at line 36 of file grains.cpp.

Referenced by GrainsInit(), UpdatePot1(), and UpdateRecomZ0().

const double INV_ETILDE = 1./ETILDE
static

Definition at line 77 of file grains.cpp.

Referenced by y2s().

const long MAGIC_AUGER_DATA = 20060126L
static

Definition at line 34 of file grains.cpp.

Referenced by ReadAugerData().

long int nCalledGrainDrive
static

Definition at line 40 of file grains.cpp.

Referenced by GrainDrive(), and GrainVar::p_clear1().

const bool NO_TUNNEL = false
static

Definition at line 37 of file grains.cpp.

Referenced by GrainIonColl(), UpdatePot1(), and UpdateRecomZ0().

const long NTOP = NDEMS/5
static

Definition at line 46 of file grains.cpp.

Referenced by InitEmissivities().

const double STICK_ELEC = 0.5
static

Definition at line 83 of file grains.cpp.

Referenced by GrainsInit().

const double STICK_ION = 1.0
static
const long T_LOOP_MAX = 50L
static

Definition at line 59 of file grains.cpp.

Referenced by GrainChargeTemp().

const double THERMCONST = PI4*ELECTRON_MASS*POW2(BOLTZMANN)/POW3(HPLANCK)
static

Definition at line 80 of file grains.cpp.

Referenced by UpdatePot2().

const double TOLER = CONSERV_TOL/10.
static

Definition at line 50 of file grains.cpp.

Referenced by GrainChargeTemp(), mie_auxiliary(), mie_cs_size_distr(), and search_limit().