root/branches/newmole/source/abundances.cpp

/* This file is part of Cloudy and is copyright (C)1978-2008 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/*AbundancesPrt print all abundances, both gas phase and grains */
/*AbundancesSet sets initial abundances after parameters are entered by reading input */
/*AbundancesTable interpolate on table of points to do 'element table' command, */
/*PrtElem print chemical composition at start of calculation */
#include "cddefines.h"
#include "physconst.h"
#include "phycon.h"
#include "called.h"
#include "stopcalc.h"
#include "thermal.h"
#include "trace.h"
#include "elementnames.h"
#include "dense.h"
#include "radius.h"
#include "grainvar.h"
#include "abund.h"

/*PrtElem print chemical composition at start of calculation */
STATIC void PrtElem(
  /* the job to do, the options are "init", "fill", "flus" */
  const char *chJob, 
  /* label for the element */
  const char *chLabl, 
  /* its abundance */
  double abund_prt);

/*AbundancesPrt print all abundances, both gas phase and grains */
void AbundancesPrt( void )
{
        long int i,
                nd;
        double GrainNumRelHydrSilicate ,
                GrainNumRelHydrCarbonaceous ,
                GrainNumRelHydr_PAH,
                GrainMassRelHydrSilicate,
                GrainMassRelHydrCarbonaceous,
                GrainMassRelHydr_PAH;

        DEBUG_ENTRY( "AbundancesPrt()" );

        /* this is main loop to print abundances of each element */
        if( called.lgTalk )
        {
                PrtElem("initG","  ",0.);/* initialize print routine for gas*/
                for( i=0; i < LIMELM; i++ )
                {
                        if( dense.lgElmtOn[i] )
                        {
                                /* fill in print buffer with abundances */
                                PrtElem("fill",(char*)elementnames.chElementSym[i],
                                  abund.solar[i]);
                        }
                }

                /* flush the print buffer */
                PrtElem("flus","  ",0.);
                /* final carriage return */
                fprintf( ioQQQ, " \n" );

                /* now grains if present */
                if( gv.lgDustOn )
                {
                        /* we will first print the total abundances of each element locked up in grains */
                        /* initialize print routine for dust*/
                        PrtElem("initD","  ",0.);
                        for( i=0; i < LIMELM; i++ )
                        {
                                if( gv.elmSumAbund[i]>SMALLFLOAT )
                                {
                                        /* fill in print buffer with abundances */
                                        PrtElem("fill",(char*)elementnames.chElementSym[i],
                                                gv.elmSumAbund[i]/dense.gas_phase[ipHYDROGEN]);
                                }
                        }
                        /* flush the print buffer */
                        PrtElem("flus","  ",0.);
                        /* final carriage return */
                        fprintf( ioQQQ, " \n" );

                        /* this is used to store grain number density per hydrogen */
                        GrainNumRelHydrSilicate = 0.;
                        GrainNumRelHydrCarbonaceous = 0;
                        GrainNumRelHydr_PAH = 0.;
                        GrainMassRelHydrSilicate = 0.;
                        GrainMassRelHydrCarbonaceous = 0;
                        GrainMassRelHydr_PAH = 0.;

                        for( nd=0; nd < gv.nBin; nd++ )
                        {

                                /* number density of grains per hydrogen, the ratio
                                 * gv.bin[nd]->IntVol/gv.bin[nd]->AvVol is the number of grain particles 
                                 * per H at standard grain abundance*/
                                realnum DensityNumberPerHydrogen = 
                                        (gv.bin[nd]->IntVol/gv.bin[nd]->AvVol)*gv.bin[nd]->dstAbund / 
                                        gv.bin[nd]->GrnVryDpth;
                                /* mass of grains per hydrogen */
                                realnum DensityMassPerHydrogen = 
                                        gv.bin[nd]->IntVol*gv.bin[nd]->dustp[0]*gv.bin[nd]->dstAbund/
                                        (realnum)ATOMIC_MASS_UNIT / gv.bin[nd]->GrnVryDpth;
                                        /*(gv.bin[nd]->IntVol/gv.bin[nd]->AvVol)*gv.bin[nd]->dstAbund*
                                        gv.bin[nd]->atomWeight / gv.bin[nd]->GrnVryDpth;*/

                                /* >>chng 06 mar 05, fix expression for calculating grain number density, PvH */
                                if( gv.bin[nd]->matType == MAT_CAR || gv.bin[nd]->matType == MAT_CAR2 )
                                {
                                        /* carbonaceous grains */
                                        GrainNumRelHydrCarbonaceous += DensityNumberPerHydrogen;
                                        GrainMassRelHydrCarbonaceous += DensityMassPerHydrogen;
                                }
                                else if( gv.bin[nd]->matType == MAT_SIL || gv.bin[nd]->matType == MAT_SIL2 )
                                {
                                        /* silicate grains */
                                        GrainNumRelHydrSilicate += DensityNumberPerHydrogen;
                                        GrainMassRelHydrSilicate += DensityMassPerHydrogen;
                                }
                                else if( gv.bin[nd]->matType == MAT_PAH || gv.bin[nd]->matType == MAT_PAH2 )
                                {
                                        /* PAHs - full abundance - remove possible factor accounting for
                                         * variation of abundances with physical conditions - this will 
                                         * be the PAH abundance with scale factor of unity */
                                        GrainNumRelHydr_PAH += DensityNumberPerHydrogen;
                                        GrainMassRelHydr_PAH += DensityMassPerHydrogen;
                                }
                                else
                                        TotalInsanity();
                        }

                        /* now print total number of grains of each type */
                        fprintf(ioQQQ,"              Number of grains per hydrogen (scale=1)                         Mass of grains per hydrogen (scale=1)\n");
                        fprintf(ioQQQ,"        Carbonaceous: %.3f  Silicate: %.3f  PAH: %.3f         Carbonaceous: %.3f  Silicate: %.3f  PAH: %.3f\n\n" ,
                                log10( MAX2( 1e-30, GrainNumRelHydrCarbonaceous ) ) ,
                                log10( MAX2( 1e-30, GrainNumRelHydrSilicate ) ) ,
                                log10( MAX2( 1e-30, GrainNumRelHydr_PAH ) ) ,
                                log10( MAX2( 1e-30, GrainMassRelHydrCarbonaceous ) ) ,
                                log10( MAX2( 1e-30, GrainMassRelHydrSilicate ) ) ,
                                log10( MAX2( 1e-30, GrainMassRelHydr_PAH ) )  );
                }
        }
        return;
}

/*AbundancesSet print all abundances, both gas phase and grains */
void AbundancesSet(void)
{
        long int i, 
          nelem;
        double fac;
        static bool lgFirstCall=true;
        static bool lgElOnOff[LIMELM];

        DEBUG_ENTRY( "AbundancesSet()" );

        /* if this is the first call to this routine in this core load, 
         * save the state of the lgElmOn array, so that it is possible
         * to turn off elements in later models, but not turn on an
         * element that was initially turned off.  This is necessary since
         * the Create... routines that create space for elements will
         * not be revisited in later models.  You can turn off an initially
         * enabled element, but not turn a disabled one on.  */

        if( lgFirstCall )
        {
                /* first call - save the initial state of the lgElmtOn vector */
                for( i=0; i<LIMELM; ++i )
                {
                        lgElOnOff[i] = dense.lgElmtOn[i];
                }
        }
        lgFirstCall = false;

        /* make sure that initially false elements remain off, while letting 
         * enabled elements be turned off */
        for( i=ipHYDROGEN; i<LIMELM; ++i )
        {
                dense.lgElmtOn[i] = lgElOnOff[i] && dense.lgElmtOn[i];
        }

        /* rescale so that abundances are H=1 */
        for( i=ipHELIUM; i < LIMELM; i++ )
        {
                abund.solar[i] /= abund.solar[0];
        }
        abund.solar[ipHYDROGEN] = 1.;

        /* set current abundances to "solar" times metals scale factor
         * and grain depletion factor */
        abund.solar[ipHELIUM] *= abund.depset[1]*abund.ScaleElement[1];

        /* option for density or abundance variations, this flag is true by default,
         * set in zero, but set false if variations are enabled AND these
         * are not density variations, but rather abundances */
        if( dense.lgDenFlucOn )
        {
                /* usual case - either density fluctuations or none at all */
                fac = 1.;
        }
        else
        {
                /* abundance fluctuations enabled, set initial value */
                fac = dense.cfirst*cos(dense.flcPhase) + dense.csecnd;
        }

        for( i=ipLITHIUM; i < LIMELM; i++ )
        {
                abund.solar[i] *= (realnum)(abund.ScaleMetals*abund.depset[i]*
                  abund.ScaleElement[i]*fac);
        }

        /* now fix abundance of any element with element table set */
        if( abund.lgAbTaON )
        {
                for( nelem=ipHELIUM; nelem < LIMELM; ++nelem )
                {
                        if( abund.lgAbunTabl[nelem] )
                        {
                                abund.solar[nelem] = (realnum)(AbundancesTable(radius.Radius,
                                  radius.depth,nelem+1));
                        }
                }
        }

        /* dense.gas_phase[nelem] contains total abundance of element */
        /* the density of hydrogen itself has already been set at this point -
         * it is set when commands parsed, most likely by the hden command -
         * set all heavier elements */
        /* if abund.solar[ipHYDROGEN] == 1, consistency doesn't hurt that much */
        for( nelem=ipHYDROGEN; nelem < LIMELM; ++nelem )
        {
                /* this implements the element off limit xxx command, where
                 * xxx is the limit to the smallest n(A)/n(H) that will remain on */
                if( abund.solar[nelem] < dense.AbundanceLimit )
                        dense.lgElmtOn[nelem] = false;

                if( dense.lgElmtOn[nelem] )
                {
                        dense.gas_phase[nelem] = abund.solar[nelem]*dense.gas_phase[ipHYDROGEN];
                        if( dense.gas_phase[nelem] <= 0. )
                        {
                                fprintf( ioQQQ, " Abundances must be greater than zero.  "
                                        "Check entered abundance for element%3ld  = %2.2s\n", 
                                nelem, elementnames.chElementSym[nelem] );
                                cdEXIT(EXIT_FAILURE);
                        }
                        else if( dense.gas_phase[nelem] < SMALLFLOAT )
                        {
                                fprintf(ioQQQ," Abundance for %s is %.2e, less than lower "
                                        "limit of %.3e, so turning element off.\n",
                                        elementnames.chElementSym[nelem],
                                        dense.gas_phase[nelem],
                                        SMALLFLOAT );
                                dense.lgElmtOn[nelem] = false;
                        }
                        else if( dense.gas_phase[nelem] > MAX_DENSITY )
                        {
                                fprintf(ioQQQ," Abundance for %s is %.2e.  This version of Cloudy does not "
                                        "permit densities greater than %e cm-3.\n",
                                        elementnames.chElementSym[nelem],
                                        dense.gas_phase[nelem],
                                        MAX_DENSITY );
                                cdEXIT(EXIT_FAILURE);
                        }
                }
                if( !dense.lgElmtOn[nelem] )
                {
                        /* >>chng 04 apr 20, set to zero if element is off */
                        dense.gas_phase[nelem] = 0.;
                }

                /* Set all neutral ions to maintain invariant */
                dense.xIonDense[nelem][0] = dense.gas_phase[nelem];
                for( long int ion=1; ion < LIMELM+1; ion++ )
                {
                        dense.xIonDense[nelem][ion] = 0.;
                }

        }

        /* if stop temp set below default then we are going into cold and possibly 
         * molecular gas - check some parameters in this case */
        if( called.lgTalk && (StopCalc.TempLoStopZone < phycon.TEMP_STOP_DEFAULT || 
                /* thermal.ConstTemp def is zero, set pos when used */
                (thermal.ConstTemp > 0. && thermal.ConstTemp < phycon.TEMP_STOP_DEFAULT ) ) )
        {

                /* print warning if temperature set below default but C > O */
                if( dense.lgElmtOn[ipOXYGEN] && dense.gas_phase[ipCARBON]/SDIV( dense.gas_phase[ipOXYGEN]) >= 1. )
                {
                        fprintf( ioQQQ, "\n >>> \n"
                                                        " >>> The simulation is going into possibly molecular gas but the carbon/oxygen abundance ratio is greater than unity.\n" );
                        fprintf( ioQQQ, " >>> Standard interstellar chemistry networks are designed for environments with C/O < 1.\n" );
                        fprintf( ioQQQ, " >>> The chemistry network may (or may not) collapse deep in molecular regions where CO is fully formed.\n" );
                        fprintf( ioQQQ, " >>> \n\n\n\n\n" );
                }
        }

        if( trace.lgTrace )
        {
                realnum sumx , sumy , sumz = 0.;

                sumx = dense.gas_phase[ipHYDROGEN]*dense.AtomicWeight[ipHYDROGEN];
                sumy = dense.gas_phase[ipHELIUM]*dense.AtomicWeight[ipHELIUM];

                fprintf( ioQQQ, "\n AbundancesSet sets following densities (cm^-3); \n" );
                for( i=0; i<3; i++ )
                {
                        for( nelem=i*10; nelem < i*10+10; nelem++ )
                        {
                                fprintf( ioQQQ, " %2.2s", elementnames.chElementSym[nelem] );
                                PrintE82( ioQQQ, dense.gas_phase[nelem] );
                                if( nelem>ipHELIUM )
                                        sumz += dense.gas_phase[nelem]*dense.AtomicWeight[nelem];
                        }
                        fprintf( ioQQQ, " \n" );
                }
                fprintf( ioQQQ, "\n AbundancesSet sets following abundances rel to H; \n" );
                for( i=0; i<3; i++ )
                {
                        for( nelem=i*10; nelem < i*10+10; nelem++ )
                        {
                                fprintf( ioQQQ, " %2.2s", elementnames.chElementSym[nelem] );
                                PrintE82( ioQQQ, dense.gas_phase[nelem]/dense.gas_phase[ipHYDROGEN] );
                        }
                        fprintf( ioQQQ, " \n" );
                }
                fprintf( ioQQQ, " \n" );
                fprintf(ioQQQ," Gas-phase mass fractions, X:%.3e Y:%.3e Z:%.3e\n\n",
                        sumx/SDIV(sumx+sumy+sumz) , 
                        sumy/SDIV(sumx+sumy+sumz) , 
                        sumz/SDIV(sumx+sumy+sumz) );
        }
        return;
}

/* this is number of elements across one line */
#define NELEM1LINE      9

/*PrtElem print chemical composition at start of calculation */
STATIC void PrtElem(
  /* the job to do, the options are "init", "fill", "flus" */
  const char *chJob, 
  /* label for the element */
  const char *chLabl, 
  /* its abundance */
  double abund_prt)
{
        static char chAllLabels[NELEM1LINE][14];/* buffer where elements will be stored*/
        long int i, 
          noffset;
        static long int nelem;  /* counter for number of elements read in*/

        DEBUG_ENTRY( "PrtElem()" );

        if( strcmp(chJob,"initG") == 0 )
        {
                /* gas phase abundances */
                nelem = 0;
                fprintf( ioQQQ, 
                        "                                                  Gas Phase Chemical Composition\n" );
        }
        else if( strcmp(chJob,"initD") == 0 )
        {
                /* abundances in grains */
                nelem = 0;
                fprintf( ioQQQ, 
                        "                                                    Grain Chemical Composition\n" );
        }

        else if( strcmp(chJob,"fill") == 0 )
        {
                /* print log of abundance to avoid exponential output */
                abund_prt = log10( abund_prt );
                /* stuff in labels and abundances */
                sprintf( chAllLabels[nelem], "  %2.2s:%8.4f", chLabl, abund_prt );
                if( nelem == NELEM1LINE-1 )
                {
                        /* we hit as many as it will hold - print it out and reset*/
                        fprintf( ioQQQ, "      " );
                        for( i=0; i < NELEM1LINE; i++ )
                        {
                                fprintf( ioQQQ, "%13.13s", chAllLabels[i] );
                        }
                        fprintf( ioQQQ, "\n" );
                        /* reset counter to zero */
                        nelem = 0;
                }
                else
                {
                        /* just increment */
                        ++nelem;
                }
        }

#       if 0
        /* Do this if you want to know about PAH number abundance */
        else if( strcmp(chJob,"fillp") == 0 )
        {
                /* print log of abundance to avoid exponential output */
                abund_prt = log10( abund_prt );

                /* stuff in labels and abundances */
                sprintf( chAllLabels[nelem], "  %2.2s:%8.4f", chLabl, abund_prt );
                if( nelem == NELEM1LINE-1 )
                {
                        /* we hit as many as it will hold - print it out and reset*/
                        fprintf( ioQQQ, "      " );
                        for( i=0; i < NELEM1LINE; i++ )
                        {
                                fprintf( ioQQQ, "%13.13s", chAllLabels[i] );
                        }
                        fprintf( ioQQQ, "\n" );
                        /* reset counter to zero */
                        nelem = 0;
                }
                else
                {
                        /* just increment */
                        ++nelem;
                }
        }
#       endif

        else if( strcmp(chJob,"flus") == 0 )
        {
                /* flush the stack */
                i = NELEM1LINE - (nelem - 2);
                noffset = i/2-1;
                /* make format pretty */
                fprintf( ioQQQ, "      " );

                for(i=0; i < noffset; i++)
                {
                        /* skip out this many fields */
                        fprintf( ioQQQ, "             " );
                }

                /* if nelem is even we need to space out another 8 */
                if( !(nelem%2) && nelem > 0)
                        fprintf( ioQQQ,"        ");

                for( i=0; i < nelem; i++ )
                {
                        fprintf( ioQQQ, "%13.13s", chAllLabels[i] );
                }

                fprintf( ioQQQ, "\n" );
        }
        else
        {
                fprintf( ioQQQ, " PrtElem does not understand job=%4.4s\n", 
                  chJob );
                cdEXIT(EXIT_FAILURE);
        }
        return;
}


/*AbundancesTable interpolate on table of points to do 'element table' command, */
double AbundancesTable(double r0, 
  double depth, 
  long int iel)
{
        bool lgHit;
        long int j;
        double frac, 
          tababun_v, 
          x;

        DEBUG_ENTRY( "AbundancesTable()" );
        /* interpolate on table of points to do 'element table' command, based 
         * on code by K Volk, each line is log radius and abundance. */

        /* interpolate on radius or depth? */
        if( abund.lgAbTaDepth[iel-1] )
        {
                /* depth key appeared = we want depth */
                x = log10(depth);
        }
        else
        {
                /* use radius */
                x = log10(r0);
        }

        /* this will be reset below, but is here as a safety check */
        tababun_v = -DBL_MAX;

        if( x < abund.AbTabRad[0][iel-1] || x >= abund.AbTabRad[abund.nAbunTabl-1][iel-1] )
        {
                fprintf( ioQQQ, " requested radius outside range of AbundancesTable\n" );
                fprintf( ioQQQ, " radius was%10.2e min, max=%10.2e%10.2e\n", 
                  x, abund.AbTabRad[0][iel-1], abund.AbTabRad[abund.nAbunTabl-1][iel-1] );
                cdEXIT(EXIT_FAILURE);
        }

        else
        {
                lgHit = false;
                j = 1;

                while( !lgHit && j <= abund.nAbunTabl - 1 )
                {
                        if( abund.AbTabRad[j-1][iel-1] <= (realnum)x && 
                                abund.AbTabRad[j][iel-1] > (realnum)x )
                        {
                                frac = (x - abund.AbTabRad[j-1][iel-1])/(abund.AbTabRad[j][iel-1] - 
                                  abund.AbTabRad[j-1][iel-1]);
                                tababun_v = abund.AbTabFac[j-1][iel-1] + frac*
                                  (abund.AbTabFac[j][iel-1] - abund.AbTabFac[j-1][iel-1]);
                                lgHit = true;
                        }
                        ++j;
                }

                if( !lgHit )
                {
                        fprintf( ioQQQ, " radius outran dlaw table scale, requested=%6.2f largest=%6.2f\n", 
                          x, abund.AbTabRad[abund.nAbunTabl-1][iel-1] );
                        cdEXIT(EXIT_FAILURE);
                }
        }

        /* got it, now return value, not log of density */
        tababun_v = pow(10.,tababun_v);
        return( tababun_v );
}

#ifdef _MSC_VER
#       pragma warning( disable : 4305 )/* disable const double to float warning in MS VS - 
                                                                           very large number of warns result */
#endif
/*AbundancesZero set initial abundances for different mixes */
void AbundancesZero(void)
{
        long int i;

        DEBUG_ENTRY( "AbundancesZero()" );

        /* solar abundances 
         * >>refer      solar   abund   Grevesse, N., & Sauval, A.J., 2001, Space Science Review, 85, 161-174 */
        /* >>chng 02 aug 20, update to these values */
        abund.SolarSave[ipHYDROGEN] = 1.0f;
        abund.SolarSave[ipHELIUM] = 0.100f;
        abund.SolarSave[ipLITHIUM] = 2.04e-9f;
        abund.SolarSave[ipBERYLLIUM] = 2.63e-11f;
        abund.SolarSave[ipBORON] = 6.17E-10f;
        /* >>chng 02 jul 30, from 3.55 to 2.45, */
        /* >>refer      C       abund   Allende Prieto, C., 
         * >>refercon   Lambert, D.L., & Asplund, M., 2002, ApJ, 573, L137 */
        abund.SolarSave[ipCARBON] = 2.45e-4f;
        /* >>chng 02 jul 30, from 9.33 to 8.53, */
        /* >>refer      N       abund   Holweger, H., 2001, Joint SOHO/ACE workshop `Solar and Galactic 
         * >>refercon   Composition'. Edited by Robert F. Wimmer-Schweingruber. Publisher: 
         * >>refercon   American Institute of Physics Conference proceedings vol. 598 location: Bern, 
         * >>refercon   Switzerland, March 6 - 9, 2001., p.23 */
        abund.SolarSave[ipNITROGEN] = 8.51e-5f;
        /* >>chng 02 jul 30, from 7.41 to 4.90, */
        /* >>refer      O       abund   Allende Prieto, C., 
         * >>refercon   Lambert, D.L., & Asplund, M., 2001, ApJ, 556, L63 */
        abund.SolarSave[ipOXYGEN] = 4.90e-4f;
        abund.SolarSave[ipFLUORINE] = 3.02e-8f;
        /* >>chng 02 jul 30, from 1.17 to 1.00, */
        /* >>refer      Ne      abund   Holweger, H., 2001, Joint SOHO/ACE workshop `Solar and Galactic 
         * >>refercon   Composition'. Edited by Robert F. Wimmer-Schweingruber. Publisher: 
         * >>refercon   American Institute of Physics Conference proceedings vol. 598 location: Bern, 
         * >>refercon   Switzerland, March 6 - 9, 2001., p.23 */
        abund.SolarSave[ipNEON] = 1.00e-4f;
        abund.SolarSave[ipSODIUM] = 2.14e-6f;
        /* >>chng 02 jul 30, from 3.80 to 3.45, */
        /* >>refer      Mg      abund   Holweger, H., 2001, Joint SOHO/ACE workshop `Solar and Galactic 
         * >>refercon   Composition'. Edited by Robert F. Wimmer-Schweingruber. Publisher: 
         * >>refercon   American Institute of Physics Conference proceedings vol. 598 location: Bern, 
         * >>refercon   Switzerland, March 6 - 9, 2001., p.23 */
        abund.SolarSave[ipMAGNESIUM] = 3.47e-5f;
        abund.SolarSave[ipALUMINIUM] = 2.95e-6f;
        /* >>chng 02 jul 30, from 3.55 to 3.44, */
        /* >>refer      Si      abund   Holweger, H., 2001, Joint SOHO/ACE workshop `Solar and Galactic 
         * >>refercon   Composition'. Edited by Robert F. Wimmer-Schweingruber. Publisher: 
         * >>refercon   American Institute of Physics Conference proceedings vol. 598 location: Bern, 
         * >>refercon   Switzerland, March 6 - 9, 2001., p.23 */
        abund.SolarSave[ipSILICON] = 3.47e-5f;
        abund.SolarSave[ipPHOSPHORUS] = 3.20e-7f;
        abund.SolarSave[ipSULPHUR] = 1.84e-5f;
        abund.SolarSave[ipCHLORINE] = 1.91e-7f;
        abund.SolarSave[ipARGON] = 2.51e-6f;
        abund.SolarSave[ipPOTASSIUM] = 1.32e-7f;
        abund.SolarSave[ipCALCIUM] = 2.29e-6f;
        abund.SolarSave[ipSCANDIUM] = 1.48e-9f;
        abund.SolarSave[ipTITANIUM] = 1.05e-7f;
        abund.SolarSave[ipVANADIUM] = 1.00e-8f;
        abund.SolarSave[ipCHROMIUM] = 4.68e-7f;
        abund.SolarSave[ipMANGANESE] = 2.88e-7f;
        /* >>chng 02 jul 30, from 3.24 to 2.81, */
        /* >>refer      Fe      abund   Holweger, H., 2001, Joint SOHO/ACE workshop `Solar and Galactic 
         * >>refercon   Composition'. Edited by Robert F. Wimmer-Schweingruber. Publisher: 
         * >>refercon   American Institute of Physics Conference proceedings vol. 598 location: Bern, 
         * >>refercon   Switzerland, March 6 - 9, 2001., p.23 */
        abund.SolarSave[ipIRON] = 2.82e-5f;
        abund.SolarSave[ipCOBALT] = 8.32e-8f;
        abund.SolarSave[ipNICKEL] = 1.78e-6f;
        abund.SolarSave[ipCOPPER] = 1.62e-8f;
        abund.SolarSave[ipZINC] = 3.98e-8f;

        /* abundance set from pre-c96 */
        /* solar abundances Grevesse and Anders 1989, Grevesse and Noel 1993 */
        abund.OldSolar84[ipHYDROGEN] = 1.0;
        abund.OldSolar84[ipHELIUM] = 0.100;
        abund.OldSolar84[ipLITHIUM] = 2.04e-9;
        abund.OldSolar84[ipBERYLLIUM] = 2.63e-11;
        abund.OldSolar84[ipBORON] = 7.59e-10;
        abund.OldSolar84[ipCARBON] = 3.55e-4;
        abund.OldSolar84[ipNITROGEN] = 9.33e-5;
        abund.OldSolar84[ipOXYGEN] = 7.41e-4;
        abund.OldSolar84[ipFLUORINE] = 3.02e-8;
        abund.OldSolar84[ipNEON] = 1.17e-4;
        abund.OldSolar84[ipSODIUM] = 2.06e-6;
        abund.OldSolar84[ipMAGNESIUM] = 3.80e-5;
        abund.OldSolar84[ipALUMINIUM] = 2.95e-6;
        abund.OldSolar84[ipSILICON] = 3.55e-5;
        abund.OldSolar84[ipPHOSPHORUS] = 3.73e-7;
        abund.OldSolar84[ipSULPHUR] = 1.62e-5;
        abund.OldSolar84[ipCHLORINE] = 1.88e-7;
        abund.OldSolar84[ipARGON] = 3.98e-6;
        abund.OldSolar84[ipPOTASSIUM] = 1.35e-7;
        abund.OldSolar84[ipCALCIUM] = 2.29e-6;
        abund.OldSolar84[ipSCANDIUM] = 1.58e-9;
        abund.OldSolar84[ipTITANIUM] = 1.10e-7;
        abund.OldSolar84[ipVANADIUM] = 1.05e-8;
        abund.OldSolar84[ipCHROMIUM] = 4.84e-7;
        abund.OldSolar84[ipMANGANESE] = 3.42e-7;
        abund.OldSolar84[ipIRON] = 3.24e-5;
        abund.OldSolar84[ipCOBALT] = 8.32e-8;
        abund.OldSolar84[ipNICKEL] = 1.76e-6;
        abund.OldSolar84[ipCOPPER] = 1.87e-8;
        abund.OldSolar84[ipZINC] = 4.52e-8;

        /* Nova Cyg 75 abundances, C, O, NE UP 20, NIT UP 100, REST SOLAR AR */
        abund.anova[ipHYDROGEN] = 1.0;
        abund.anova[ipHELIUM] = 0.098;
        abund.anova[ipLITHIUM] = 2.04e-9;
        abund.anova[ipBERYLLIUM] = 2.6e-11;
        abund.anova[ipBORON] = 7.60e-9;
        abund.anova[ipCARBON] = 9.4e-4;
        abund.anova[ipNITROGEN] = 9.8e-3;
        abund.anova[ipOXYGEN] = 1.7e-2;
        abund.anova[ipFLUORINE] = 3.02e-8;
        abund.anova[ipNEON] = 2.03e-3;
        abund.anova[ipSODIUM] = 2.06e-6;
        abund.anova[ipMAGNESIUM] = 3.80e-5;
        abund.anova[ipALUMINIUM] = 2.95e-6;
        abund.anova[ipSILICON] = 3.55e-5;
        abund.anova[ipPHOSPHORUS] = 3.73e-7;
        abund.anova[ipSULPHUR] = 1.62e-5;
        abund.anova[ipCHLORINE] = 1.88e-7;
        abund.anova[ipARGON] = 3.63e-6;
        abund.anova[ipPOTASSIUM] = 1.35e-7;
        abund.anova[ipCALCIUM] = 2.29e-6;
        abund.anova[ipSCANDIUM] = 1.22e-9;
        abund.anova[ipTITANIUM] = 8.60e-8;
        abund.anova[ipVANADIUM] = 1.05e-8;
        abund.anova[ipCHROMIUM] = 4.84e-7;
        abund.anova[ipMANGANESE] = 3.42e-7;
        abund.anova[ipIRON] = 4.68e-5;
        abund.anova[ipCOBALT] = 2.24e-9;
        abund.anova[ipNICKEL] = 1.76e-6;
        abund.anova[ipCOPPER] = 1.87e-8;
        abund.anova[ipZINC] = 4.52e-8;

        /* primordial abundances */
        abund.aprim[ipHYDROGEN] = 1.0;
        abund.aprim[ipHELIUM] = 0.072;
        abund.aprim[ipLITHIUM] = 1e-10;
        abund.aprim[ipBERYLLIUM] = 1e-16;

        for( i=4; i < LIMELM; i++ )
        {
                abund.aprim[i] = 1e-25;
        }

        /* typical ISM abundances, mean of Table 3, Cowie+Songaila, Ann Rev '86
         * also Table 5, Savage and Sembach, Ann Rev 1996 */
        abund.aism[ipHYDROGEN] = 1.;
        abund.aism[ipHELIUM] = 0.098;
        abund.aism[ipLITHIUM] = 5.4e-11;
        abund.aism[ipBERYLLIUM] = 1e-20;
        abund.aism[ipBORON] = 8.9e-11;
        abund.aism[ipCARBON] = 2.51e-4;
        abund.aism[ipNITROGEN] = 7.94e-5;
        /* >>chng >>01 feb 19, from 5.01e-4 to 3.19e-4, value from */
        /* >>refer      O       abundance       Meyers, D.M., Jura, M., & Cardelli, J.A., 1998, ApJ, 493, 222-229 */
        /* they quote 3.19 +/- 0.14 e-4 */
        abund.aism[ipOXYGEN] = 3.19e-4;
        abund.aism[ipFLUORINE] = 1e-20;
        abund.aism[ipNEON] = 1.23e-4;
        abund.aism[ipSODIUM] = 3.16e-7;
        abund.aism[ipMAGNESIUM] = 1.26e-5;
        abund.aism[ipALUMINIUM] = 7.94e-8;
        abund.aism[ipSILICON] = 3.16e-6;
        abund.aism[ipPHOSPHORUS] = 1.6e-7;
        abund.aism[ipSULPHUR] = 3.24e-5;
        abund.aism[ipCHLORINE] = 1e-7;
        abund.aism[ipARGON] = 2.82e-6;
        abund.aism[ipPOTASSIUM] = 1.1e-8;
        abund.aism[ipCALCIUM] = 4.1e-10;
        abund.aism[ipSCANDIUM] = 1e-20;
        abund.aism[ipTITANIUM] = 5.8e-10;
        abund.aism[ipVANADIUM] = 1.0e-10;
        abund.aism[ipCHROMIUM] = 1.0e-8;
        abund.aism[ipMANGANESE] = 2.3e-8;
        abund.aism[ipIRON] = 6.31e-7;
        abund.aism[ipCOBALT] = 1e-20;
        abund.aism[ipNICKEL] = 1.82e-8;
        abund.aism[ipCOPPER] = 1.5e-9;
        abund.aism[ipZINC] = 2.0e-8;

        /* HII region abundances, Orion mean of Baldwin et al, Rubin et al,
         * and DEO et al, all 1991 apj
         * also Table 5, Savage and Sembach, Ann Rev 1996 for ism */
        abund.ahii[ipHYDROGEN] = 1.;
        abund.ahii[ipHELIUM] = 0.095;
        abund.ahii[ipLITHIUM] = 5.4e-11;
        abund.ahii[ipBERYLLIUM] = 1e-20;
        abund.ahii[ipBORON] = 8.9e-11;
        abund.ahii[ipCARBON] = 3.e-4;
        abund.ahii[ipNITROGEN] = 7.0e-5;
        abund.ahii[ipOXYGEN] = 4.0e-4;
        abund.ahii[ipFLUORINE] = 1e-20;
        abund.ahii[ipNEON] = 6e-5;
        abund.ahii[ipSODIUM] = 3e-7;
        abund.ahii[ipMAGNESIUM] = 3.e-6;
        abund.ahii[ipALUMINIUM] = 2.e-7;
        abund.ahii[ipSILICON] = 4.e-6;
        abund.ahii[ipPHOSPHORUS] = 1.6e-7;
        abund.ahii[ipSULPHUR] = 1.0e-5;
        abund.ahii[ipCHLORINE] = 1.e-7;
        abund.ahii[ipARGON] = 3.e-6;
        abund.ahii[ipPOTASSIUM] = 1.1e-8;
        abund.ahii[ipCALCIUM] = 2.e-8;
        abund.ahii[ipSCANDIUM] = 1e-20;
        abund.ahii[ipTITANIUM] = 5.8e-10;
        abund.ahii[ipVANADIUM] = 1.0e-10;
        abund.ahii[ipCHROMIUM] = 1.0e-8;
        abund.ahii[ipMANGANESE] = 2.3e-8;
        abund.ahii[ipIRON] = 3.0e-6;
        abund.ahii[ipCOBALT] = 1e-20;
        abund.ahii[ipNICKEL] = 1e-7;
        abund.ahii[ipCOPPER] = 1.5e-9;
        abund.ahii[ipZINC] = 2.0e-8;

        /* PN abund from  */
        /* >>refer      PN      abundances      Aller+Czyzak, ApJ Sup 51, 211 */
        abund.apn[ipHYDROGEN] = 1.;
        abund.apn[ipHELIUM] = 0.1;
        abund.apn[ipLITHIUM] = 1e-20;
        abund.apn[ipBERYLLIUM] = 1e-20;
        abund.apn[ipBORON] = 1e-20;
        abund.apn[ipCARBON] = 7.8e-4;
        abund.apn[ipNITROGEN] = 1.8e-4;
        abund.apn[ipOXYGEN] = 4.4e-4;
        abund.apn[ipFLUORINE] = 3e-7;
        abund.apn[ipNEON] = 1.1e-4;
        abund.apn[ipSODIUM] = 1.9e-6;
        abund.apn[ipMAGNESIUM] = 1.6e-6;
        abund.apn[ipALUMINIUM] = 2.7e-7;
        abund.apn[ipSILICON] = 1e-5;
        abund.apn[ipPHOSPHORUS] = 2e-7;
        abund.apn[ipSULPHUR] = 1e-5;
        abund.apn[ipCHLORINE] = 1.7e-7;
        abund.apn[ipARGON] = 2.7e-6;
        abund.apn[ipPOTASSIUM] = 1.2e-7;
        abund.apn[ipCALCIUM] = 1.2e-8;
        abund.apn[ipSCANDIUM] = 1e-20;
        abund.apn[ipTITANIUM] = 1e-20;
        abund.apn[ipVANADIUM] = 1e-20;
        abund.apn[ipCHROMIUM] = 1e-20;
        abund.apn[ipMANGANESE] = 1e-20;
        abund.apn[ipIRON] = 5.0e-7;
        abund.apn[ipCOBALT] = 1e-20;
        abund.apn[ipNICKEL] = 1.8e-8;
        abund.apn[ipCOPPER] = 1e-20;
        abund.apn[ipZINC] = 1e-20;

        /* mix from Cameron 1982, in "Essays on Nuclear Astro" */
        abund.camern[ipHYDROGEN] = 1.;
        abund.camern[ipHELIUM] = .0677;
        abund.camern[ipLITHIUM] = 2.2e-9;
        abund.camern[ipBERYLLIUM] = 4.5e-11;
        abund.camern[ipBORON] = 3.4e-10;
        abund.camern[ipCARBON] = 4.22e-4;
        abund.camern[ipNITROGEN] = 8.72e-5;
        abund.camern[ipOXYGEN] = 6.93e-4;
        abund.camern[ipFLUORINE] = 2.9e-8;
        abund.camern[ipNEON] = 9.77e-5;
        abund.camern[ipSODIUM] = 2.25e-6;
        abund.camern[ipMAGNESIUM] = 3.98e-5;
        abund.camern[ipALUMINIUM] = 3.20e-6;
        abund.camern[ipSILICON] = 3.76e-5;
        abund.camern[ipPHOSPHORUS] = 2.4e-7;
        abund.camern[ipSULPHUR] = 1.88e-5;
        abund.camern[ipCHLORINE] = 1.78e-7;
        abund.camern[ipARGON] = 3.99e-6;
        abund.camern[ipPOTASSIUM] = 1.3e-7;
        abund.camern[ipCALCIUM] = 2.35e-6;
        abund.camern[ipSCANDIUM] = 1.16e-9;
        abund.camern[ipTITANIUM] = 9.0e-8;
        abund.camern[ipVANADIUM] = 9.5e-9;
        abund.camern[ipCHROMIUM] = 4.8e-7;
        abund.camern[ipMANGANESE] = 3.5e-7;
        abund.camern[ipIRON] = 3.38e-5;
        abund.camern[ipCOBALT] = 8.27e-8;
        abund.camern[ipNICKEL] = 1.80e-6;
        abund.camern[ipCOPPER] = 2.0e-8;
        abund.camern[ipZINC] = 4.7e-8;

        /* set logical flags saying whether to include element in AGN tables */
        /* first set all false, since most not included */
        for( i=0; i < LIMELM; i++ )
        {
                abund.lgAGN[i] = false;
        }
        abund.lgAGN[ipHYDROGEN] = true;
        abund.lgAGN[ipHELIUM] = true;
        abund.lgAGN[ipCARBON] = true;
        abund.lgAGN[ipNITROGEN] = true;
        abund.lgAGN[ipOXYGEN] = true;
        abund.lgAGN[ipNEON] = true;
        abund.lgAGN[ipMAGNESIUM] = true;
        abund.lgAGN[ipSILICON] = true;
        abund.lgAGN[ipSULPHUR] = true;
        abund.lgAGN[ipARGON] = true;
        abund.lgAGN[ipIRON] = true;
        return;
}