opacity_add1element.cpp

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/* This file is part of Cloudy and is copyright (C)1978-2022 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/*OpacityAdd1Element enter total photo cross section for all subshells into opacity array */
#include "cddefines.h"
#include "iso.h"
#include "rfield.h"
#include "dense.h"
#include "heavy.h"
#include "opacity.h"
#include "freebound.h"

void OpacityAdd1Element(
                /* nelem is 0 for H, 1 for He, etc */
                long int nelem)
{
        long int ipHi, 
          ipop, 
          limit,
          low, 
          n, 
          ion, 
          nshell;
        char chStat;
        double abundance;

        DEBUG_ENTRY( "OpacityAdd1Element()" );

        /* this routine drives OpacityAdd1Subshell to put in total opacities for all shells*/

        /*begin sanity check */
        ASSERT( (nelem >=0 ) && (nelem < LIMELM) );

        /* first do simple two-level systems -
         * this is number of species that are not treated on common iso-electronic series */
        limit = nelem + 1 - NISO;
        /* this can be called with hydrogen itself, in which case nelem is 0, and limit is
         * -1 - do not do any of the simple ions */
        limit = MAX2( 0 , limit );

        /* do not include the ion stages that have complete atoms,
         * currently H and He like iso sequences */
        for( ion=0; ion < limit; ion++ )
        {
                if( dense.xIonDense[nelem][ion] > 0. )
                {
                        /*start with static opacities, then do volatile*/

                        chStat = 's';
                        /* number of bound electrons */
                        for( nshell=0; nshell < Heavy.nsShells[nelem][ion]; nshell++ )
                        {
                                /* highest shell will be volatile*/
                                if( nshell== Heavy.nsShells[nelem][ion]-1 )
                                        chStat = 'v';
                                /* set lower and upper limits to this range */
                                low = opac.ipElement[nelem][ion][nshell][0];
                                ipHi = opac.ipElement[nelem][ion][nshell][1];
                                ipop = opac.ipElement[nelem][ion][nshell][2];
                                /* OpacityAdd1Subshell will not do anything if static opacities do not need to be reset*/
                                OpacityAdd1Subshell(ipop,low,ipHi,dense.xIonDense[nelem][ion] , chStat );
                        }
                }
        }

        /* now loop over all species done as large multi-level systems */
        /* >>chng 02 jan 17, add loop over H and He like */
        /* ion is on the c scale, =0 for HI, =1 for HeII */
        for( ion=limit; ion<nelem+1; ++ion )
        {
                /* ipISO is 0 for H-like, 1 for He-like */
                long int ipISO = nelem-ion;

                /* do multi level systems, but only if present 
                 * test for nelem+1 in case atom present but not ion, test is whether the
                 * abundance of the recombined species is present */
                /* >>chng 02 jan 17, sec dim had been nelem+1, change to ion+1 */
                /*if( dense.xIonDense[nelem][nelem] > 0. )*/
                if( dense.xIonDense[nelem][ion] > 0. )
                {
                        ASSERT( ipISO < NISO );

                        /* do ground first, then all excited states */
                        n = 0;
                        /* abundance of recombined species, which can be zero if no ion present */
                        abundance = iso_sp[ipISO][nelem].st[n].Pop();

                        /* >>chng 02 may 06, add second test, had been just the chck on helium,
                         * with no option to use new soln */
                        if( abundance == 0.  )
                        {
                                /* no ionized species, assume everything in ground */
                                abundance = dense.xIonDense[nelem][ion];
                        }

                        /* >>chng 02 jan 17, to arbitrary iso sequence */
                        /* use computed opacities and departure coef for level */
                        OpacityAdd1SubshellInduc(
                                iso_sp[ipISO][nelem].fb[n].ipOpac,
                                iso_sp[ipISO][nelem].fb[n].ipIsoLevNIonCon,
                                /* the upper limit to the integration, 
                                * ground opacity goes up to the high-energy limit of code*/
                                rfield.nflux,
                                /* the abundance of the ion */
                                abundance,
                                /* departure coef, volatile opac, always reevaluate */
                                iso_sp[ipISO][nelem].st[n].DepartCoef() , 'v' );

                        /* do excited levvels,
                         * this loop only if upper levels have finite population*/
                        if( iso_sp[ipISO][nelem].st[3].Pop() > 0. )
                        {
                                char chType = 'v';
                                /* always want to evaluate all opacities for n=3, 4, use static opacities for higher levels */
                                /* >>chng 06 aug 17, should go to numLevels_local instead of _max */
                                for( long level =1; level < iso_sp[ipISO][nelem].numLevels_local; level++ )
                                {
                                        if( level==iso_sp[ipISO][nelem].numLevels_max-1 )
                                                chType = 'v';
                                        /* above 4 is static */
                                        else if( iso_sp[ipISO][nelem].st[level].n() >= 5 )
                                                chType = 's';

                                        //fixit();  should third parameter go to rfield.nflux?
                                        // gjf: don't think so - excited state opacities will be 4-8 dex
                                        // smaller than ground state opacity due to population differences
                                        // between ground and excited states.  H and He like species
                                        // have the n=2 level at ~3/4 of the ionization potential, so the
                                        // level populations are small compared with ground for recombination
                                        // or collision dominated plasmas.  This is not true for non-H-like species
                                        // so should be revisited if the iso sequence treatment is ever extended
                                        // beyond He-like.  This is a significant time sink due to large number
                                        // of opacity cells across the Lyman coninuum.
                                        /* include correction for stimulated emission */
                                        OpacityAdd1SubshellInduc(
                                                iso_sp[ipISO][nelem].fb[level].ipOpac,
                                                iso_sp[ipISO][nelem].fb[level].ipIsoLevNIonCon,
                                                /* the high energy bound of excited states is the 
                                                * edge of the Lyman continuum */
                                                iso_sp[ipISO][nelem].fb[0].ipIsoLevNIonCon,
                                                iso_sp[ipISO][nelem].st[level].Pop(),
                                                /* departure coef, volitile opacities */
                                                iso_sp[ipISO][nelem].st[level].DepartCoef() , chType );
                                }
                        }
                }
        }
        return;
}