iso_cool.cpp

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/* This file is part of Cloudy and is copyright (C)1978-2013 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/*iso_cool compute net cooling due to species in iso-sequences */
#include "cddefines.h"
#include "physconst.h"
#include "taulines.h"
#include "hydrogenic.h"
#include "elementnames.h"
#include "phycon.h"
#include "dense.h"
#include "thermal.h"
#include "cooling.h"
#include "iso.h"
#include "rt.h"
 
STATIC double iso_rad_rec_cooling_approx( long ipISO, long nelem );
STATIC double iso_rad_rec_cooling_extra( long ipISO, long nelem, const double& ThinCoolingSum );
 
/* HP cc cannot compile this routine with any optimization */ 
#if defined(__HP_aCC)
#       pragma OPT_LEVEL 1
#endif
 
// set to true to enable debug print of contributors to collisional ionization cooling
const bool lgPrintIonizCooling = false;
 
void iso_cool(
           /* iso sequence, 0 for hydrogenic */
           long int ipISO , 
                /* nelem is charge -1, so 0 for H itself */
                long int nelem)
{
        long int ipbig; //, n;
        double biggest = 0.,
          dCdT_all, 
          edenIonAbund, 
          CollisIonizatCoolingTotal, 
          CollisIonizatHeatingTotal, 
          dCollisIonizatCoolingTotalDT, 
          HeatExcited,
          heat_max,
          CollisIonizatCooling, 
          CollisIonizatHeating, 
          CollisIonizatCoolingDT, 
          hlone;
 
        valarray<double> CollisIonizatCoolingArr, 
          CollisIonizatCoolingDTArr,
          SavePhotoHeat,
          SaveInducCool;
 
        long int nlo_heat_max  , nhi_heat_max;
        int coolnum = thermal.ncltot;
 
        /* place to put string labels for iso lines */
        char chLabel[NCOLNT_LAB_LEN+1];
 
        DEBUG_ENTRY( "iso_cool()" );
 
        t_iso_sp* sp = &iso_sp[ipISO][nelem];
 
        /* validate the incoming data */
        ASSERT( nelem >= ipISO );
        ASSERT( ipISO < NISO );
        ASSERT( nelem < LIMELM );
        /* local number of levels may be less than malloced number if continuum
         * has been lowered due to high density */
        ASSERT( sp->numLevels_local <= sp->numLevels_max );
 
        if( dense.xIonDense[nelem][nelem-ipISO]<=0. ||
                !dense.lgElmtOn[nelem] )
        {
                /* all global variables must be zeroed here or set below */
                sp->coll_ion = 0.;
                sp->cLya_cool = 0.;
                sp->cLyrest_cool = 0.;
                sp->cBal_cool = 0.;
                sp->cRest_cool = 0.;
                sp->xLineTotCool = 0.;
                sp->RadRecCool = 0.;
                sp->FreeBnd_net_Cool_Rate = 0.;
                sp->dLTot = 0.;
                sp->RecomInducCool_Rate = 0.;
                // zero out line coolants
                for( long ipHi=1; ipHi < sp->numLevels_max; ++ipHi )
                {
                        for( long ipLo=0; ipLo < ipHi; ++ipLo )
                                CollisionZero( sp->trans(ipHi,ipLo).Coll() );
                }
                return;
        }
 
        /* create some space, these go to numLevels_local instead of _max
         * since continuum may have been lowered by density */
        if( lgPrintIonizCooling )
        {
                CollisIonizatCoolingArr.resize( sp->numLevels_local );
                CollisIonizatCoolingDTArr.resize( sp->numLevels_local );
        }
        SavePhotoHeat.resize( sp->numLevels_local );
        SaveInducCool.resize( sp->numLevels_local );
 
        /***********************************************************************
         *                                                                     *
         * collisional ionization cooling, less three-body recombination  heat *
         *                                                                     *
         ***********************************************************************/
 
        /* will be net collisional ionization cooling, units erg/cm^3/s */
        CollisIonizatCoolingTotal = 0.;
        CollisIonizatHeatingTotal = 0.;
        dCollisIonizatCoolingTotalDT = 0.;
 
        // collisional ionization cooling and three body heating 
        for( long n=0; n < sp->numLevels_local; ++n )
        {
                /* total collisional ionization cooling less three body heating */
                CollisIonizatCooling =
                        EN1RYD*sp->fb[n].xIsoLevNIonRyd*sp->fb[n].ColIoniz*dense.EdenHCorr*
                        sp->st[n].Pop();
                CollisIonizatCoolingTotal += CollisIonizatCooling;
                CollisIonizatHeating =
                        EN1RYD*sp->fb[n].xIsoLevNIonRyd*sp->fb[n].ColIoniz*dense.EdenHCorr*
                        sp->fb[n].PopLTE* dense.eden*
                        dense.xIonDense[nelem][nelem+1-ipISO];
                CollisIonizatHeatingTotal += CollisIonizatHeating;
 
                double CollisIonizatDiff = CollisIonizatCooling-CollisIonizatHeating;
                /* the derivative of the cooling */
                CollisIonizatCoolingDT = CollisIonizatDiff*
                        (sp->fb[n].xIsoLevNIonRyd*TE1RYD/POW2(phycon.te)- thermal.halfte);
 
 
                dCollisIonizatCoolingTotalDT += CollisIonizatCoolingDT;
                // save values for debug printout
                if( lgPrintIonizCooling )
                {
                        CollisIonizatCoolingArr[n] = CollisIonizatDiff;
                        CollisIonizatCoolingDTArr[n] = CollisIonizatCoolingDT;
                }
        }
 
        double CollisIonizatNetCooling = 
                CollisIonizatCoolingTotal-CollisIonizatHeatingTotal;
        /* save net collisional ionization cooling less H-3 body heating
         * for inclusion in printout */
        sp->coll_ion = CollisIonizatNetCooling;
 
        /* add this derivative to total */
        thermal.dCooldT += dCollisIonizatCoolingTotalDT;
 
        /* create a meaningful label */
        sprintf(chLabel , "IScion%2s%2s" , elementnames.chElementSym[ipISO] , 
                elementnames.chElementSym[nelem] );
 
        // Adding heating and cooling separately allows ionization solvers
        // to sense convergence close to LTE, but (at r5525) breaks thermal
        // equilibrium.
        if (0)
        {
                // New treatment -- separates cooling and heating as advertised
                /* dump the coolant onto the cooling stack */
                CoolAdd(chLabel,(realnum)nelem,CollisIonizatCoolingTotal);
                
                /* heating[0][3] is all three body heating, opposite of collisional 
                 * ionization cooling,
                 * would be unusual for this to be non-zero since would require excited
                 * state departure coefficients to be greater than unity */
                thermal.heating[0][3] += CollisIonizatHeatingTotal;
        }
        else
        {
                // Old treatment
                CoolAdd(chLabel,(realnum)nelem,MAX2(0.,CollisIonizatNetCooling));
                if (CollisIonizatNetCooling < 0)
                        thermal.heating[0][3] -= CollisIonizatNetCooling;
        }
 
        /* debug block printing individual contributors to collisional ionization cooling */
        if( lgPrintIonizCooling && nelem==1 && ipISO==1 )
        {
                fprintf(ioQQQ,"DEBUG coll ioniz cool contributors:");
                for( long n=0; n < sp->numLevels_local; n++ )
                {
                        if( CollisIonizatCoolingArr[n] / SDIV( CollisIonizatNetCooling ) > 0.1 )
                                fprintf(ioQQQ," %2li %.1e",
                                        n,
                                        CollisIonizatCoolingArr[n]/ SDIV( CollisIonizatNetCooling ) );
                }
                fprintf(ioQQQ,"\n");
                fprintf(ioQQQ,"DEBUG coll ioniz derivcontributors:");
                for( long n=0; n < sp->numLevels_local; n++ )
                {
                        if( CollisIonizatCoolingDTArr[n] / SDIV( dCollisIonizatCoolingTotalDT ) > 0.1 )
                                fprintf(ioQQQ," %2li %.1e",
                                        n,
                                        CollisIonizatCoolingDTArr[n]/ SDIV( dCollisIonizatCoolingTotalDT ) );
                }
                fprintf(ioQQQ,"\n");
        }
 
        /***********************************************************************
         *                                                                     *
         * hydrogen recombination free-bound free bound cooling                *
         *                                                                     *
         ***********************************************************************/
 
        /* this is the product of the ion abundance times the electron density */
        edenIonAbund = dense.eden*dense.xIonDense[nelem][nelem+1-ipISO];
 
        sp->RadRecCool = 0.;
        if( dense.gas_phase[nelem] > 1e-3 * dense.xNucleiTotal )
        {
                RT_iso_integrate_RRC( ipISO, nelem, false );
        }
        else
        {
                double ThinCoolingSum = iso_rad_rec_cooling_approx( ipISO, nelem );
                /* this is a cooling "topoff" term - significant for approach to STE */
                sp->RadRecCool = iso_rad_rec_cooling_extra( ipISO, nelem, ThinCoolingSum );
        }
        
        /* this is now total free-bound cooling */
        for( long n=0; n < sp->numLevels_local; n++ )
        {
                sp->RadRecCool += sp->fb[n].RadRecCoolCoef;
        }
 
        // now multiply by density squared to get real cooling, erg cm-3 s-1
        sp->RadRecCool *= edenIonAbund;
 
        {
                /* debug block for state specific recombination cooling */
                enum {DEBUG_LOC=false};
                if( DEBUG_LOC  )
                {
                        if( nelem==ipISO )
                        {
                                for( long n=0; n < sp->numLevels_local; n++ )
                                {
                                        fprintf(ioQQQ,"\t%.2f",sp->fb[n].RadRecCoolCoef/sp->RadRecCool);
                                }
                                fprintf(ioQQQ,"\n");
                        }
                }
        }
 
 
        /***********************************************************************
         *                                                                     
         * heating  by photoionization of                                      
         * excited states of all species                            
         *                                                                     
         ***********************************************************************/
 
        /* photoionization of excited levels */
        HeatExcited = 0.;
        ipbig = -1000;
        for( long n=1; n < sp->numLevels_local; ++n )
        {
                ASSERT( sp->fb[n].PhotoHeat >= 0. );
                ASSERT( sp->st[n].Pop() >= 0. );
 
                SavePhotoHeat[n] = sp->st[n].Pop()*
                        sp->fb[n].PhotoHeat;
                HeatExcited += SavePhotoHeat[n];
                if( SavePhotoHeat[n] > biggest )
                {
                        biggest = SavePhotoHeat[n];
                        ipbig = (int)n;
                }
        }
        {
                /* debug block for heating due to photo of each n */
                enum {DEBUG_LOC=false};
                if( DEBUG_LOC  && ipISO==0 && nelem==0  && nzone > 700)
                {
                        /* this was not done above */
                        SavePhotoHeat[ipH1s] = sp->st[ipH1s].Pop()*
                                sp->fb[ipH1s].PhotoHeat;
                        fprintf(ioQQQ,"ipISO = %li nelem=%li ipbig=%li biggest=%g HeatExcited=%.2e ctot=%.2e\n",
                                ipISO , nelem,
                                ipbig , 
                                biggest,
                                HeatExcited ,
                                thermal.ctot);
                        /* >>chng 06 aug 17, should go to numLevels_local instead of _max. */
                        for( long n=ipH1s; n< sp->numLevels_local; ++n )
                        {
                                fprintf(ioQQQ,"DEBUG phot heat%2li\t%.2e\t%.2e\t%.2e\t%.2e\t%.2e\n", 
                                        n,
                                        SavePhotoHeat[n]/HeatExcited,
                                        dense.xIonDense[nelem][nelem+1-ipISO],
                                        sp->st[n].Pop(),
                                        sp->fb[n].PhotoHeat,
                                        sp->fb[n].gamnc);
                        }
                }
        }
 
        /* FreeBnd_net_Cool_Rate is net cooling due to recombination 
         * RadRecCool is total radiative recombination cooling sum to all levels,
         * with n>=2 photoionization heating subtracted */
        sp->FreeBnd_net_Cool_Rate = sp->RadRecCool - HeatExcited;
        /*fprintf(ioQQQ,"DEBUG Hn2\t%.3e\t%.3e\n",
                -sp->RadRecCool/SDIV(thermal.htot),
                HeatExcited/SDIV(thermal.htot));*/
 
        /* heating[0][1] is all excited state photoionization heating from ALL 
         * species, this is set to zero in CoolEvaluate before loop where this 
         * is called. */
        thermal.heating[0][1] += MAX2(0.,-sp->FreeBnd_net_Cool_Rate);
 
        /* net free-bound cooling minus free-free heating */
        /* create a meaningful label */
        sprintf(chLabel , "ISrcol%2s%2s" , elementnames.chElementSym[ipISO]  , 
                elementnames.chElementSym[nelem]);
        CoolAdd(chLabel, (realnum)nelem, MAX2(0.,sp->FreeBnd_net_Cool_Rate));
 
        /* if rec coef goes as T^-.8, but times T, so propto t^.2 */
        thermal.dCooldT += 0.2*sp->FreeBnd_net_Cool_Rate*phycon.teinv;
 
        /***********************************************************************
         *                                                                     *
         * induced recombination cooling                                       *
         *                                                                     *
         ***********************************************************************/
 
        sp->RecomInducCool_Rate = 0.;
        /* >>chng 06 aug 17, should go to numLevels_local instead of _max. */
        for( long n=0; n < sp->numLevels_local; ++n )
        {
                /* >>chng 02 jan 22, removed cinduc, replace with RecomInducCool */
                SaveInducCool[n] = sp->fb[n].RecomInducCool_Coef*sp->fb[n].PopLTE*edenIonAbund;
                sp->RecomInducCool_Rate += SaveInducCool[n];
                thermal.dCooldT += SaveInducCool[n]*
                        (sp->fb[n].xIsoLevNIonRyd/phycon.te_ryd - 1.5)*phycon.teinv;
        }
 
        {
                /* print rec cool, induced rec cool, photo heat */
                enum {DEBUG_LOC=false};
                if( DEBUG_LOC && ipISO==0 && nelem==5  )
                {
                        fprintf(ioQQQ," ipISO=%li nelem=%li ctot = %.2e\n",
                                ipISO,
                                nelem,
                                thermal.ctot);
                        fprintf(ioQQQ,"sum\t%.2e\t%.2e\t%.2e\n", 
                                HeatExcited,
                                sp->RadRecCool,
                                sp->RecomInducCool_Rate);
                        fprintf(ioQQQ,"sum\tp ht\tr cl\ti cl\n");
 
                        /* >>chng 06 aug 17, should go to numLevels_local instead of _max. */
                        for( long n=0; n< sp->numLevels_local; ++n )
                        {
                                fprintf(ioQQQ,"%li\t%.2e\t%.2e\t%.2e\t%.2e\t%.2e\t%.2e  \n", 
                                        n,
                                        SavePhotoHeat[n],
                                        sp->fb[n].RadRecCoolCoef,
                                        SaveInducCool[n] ,
                                        sp->fb[n].RecomInducCool_Coef,
                                        sp->fb[n].PopLTE,
                                        sp->fb[n].RecomInducRate);
                        }
                        fprintf(ioQQQ," \n");
                }
        }
        /* create a meaningful label - induced rec cooling */
        sprintf(chLabel , "ISicol%2s%2s" , elementnames.chElementSym[ipISO]  , 
                elementnames.chElementSym[nelem]);
        /* induced rec cooling */
        CoolAdd(chLabel,(realnum)nelem,sp->RecomInducCool_Rate);
 
        /* find total collisional energy exchange due to bound-bound */
        sp->xLineTotCool = 0.;
        dCdT_all = 0.;
        heat_max = 0.;
        nlo_heat_max = -1;
        nhi_heat_max = -1;
 
        if (0)
        {
                long ipHi = 0;
                fprintf(ioQQQ,"%ld %ld %ld %g\n",nelem,ipISO,ipHi,
                                  sp->st[ipHi].Pop()/sp->st[ipHi].g());
                for( ipHi=1; ipHi < sp->numLevels_local; ++ipHi )
                {
                        fprintf(ioQQQ,"%ld %ld %ld %g\n",nelem,ipISO,ipHi,
                                          sp->st[ipHi].Pop()/(sp->st[ipHi].Boltzmann()*
                                                                                                 sp->st[ipHi].g()));
                }
                
        }
 
        /* loop does not include highest levels - their population may be
         * affected by topoff */
        vector<double> Boltzmann(sp->numLevels_local-1);
        for (unsigned lev = 0; lev < Boltzmann.size(); ++lev)
                Boltzmann[lev] = 1.0;
 
        for( long ipHi=1; ipHi < sp->numLevels_local; ++ipHi )
        {
                double arg = (sp->st[ipHi].energy().K()-sp->st[ipHi-1].energy().K()) /
                        phycon.te;
                arg = MAX2( -38., arg); fixit(); // Wouldn't need to mask this out if levels were in order
                double bstep =  sexp( arg );
                for (long ipLo = 0; ipLo < ipHi; ++ipLo )
                        Boltzmann[ipLo] *= bstep;
 
                for( long ipLo=0; ipLo < ipHi; ++ipLo )
                {
                        /* collisional energy exchange between ipHi and ipLo - net cool */
                        hlone = 
                          sp->trans(ipHi,ipLo).Coll().ColUL( colliders ) *
                          (sp->st[ipLo].Pop()*
                          Boltzmann[ipLo]*
                          sp->st[ipHi].g()/sp->st[ipLo].g() - 
                          sp->st[ipHi].Pop())*
                          sp->trans(ipHi,ipLo).EnergyErg();
 
                        if( hlone > 0. )
                                sp->trans(ipHi,ipLo).Coll().cool() = hlone;
                        else
                                sp->trans(ipHi,ipLo).Coll().heat() = -1.*hlone;
 
                        sp->xLineTotCool += hlone;
 
                        /* next get derivative */
                        if( hlone > 0. )
                        {
                                /* usual case, this line was a net coolant - for derivative 
                                 * taking the exponential from ground gave better
                                 * representation of effects */
                                dCdT_all += hlone*
                                        (sp->trans(ipHi,ipH1s).EnergyK()*thermal.tsq1 - thermal.halfte);
                        }
                        else
                        {
                                /* this line heats the gas, remember which one it was,
                                 * the following three vars never are used, but could be for
                                 * debugging */
                                if( hlone < heat_max )
                                {
                                        heat_max = hlone;
                                        nlo_heat_max = ipLo;
                                        nhi_heat_max = ipHi;
                                } 
                                dCdT_all -= hlone*thermal.halfte;
                        }
                }
        }
        {
                /* debug block announcing which line was most important */
                enum {DEBUG_LOC=false};
                if( DEBUG_LOC )
                {
                        if( nelem==ipISO )
                                fprintf(ioQQQ,"%li %li %.2e\n", nlo_heat_max, nhi_heat_max, heat_max );
                }
        }
 
        /* Lyman line collisional heating/cooling */
        /* Lya itself */
        sp->cLya_cool = 0.;
        /* lines higher than Lya */
        sp->cLyrest_cool = 0.;
 
        for( long ipHi=1; ipHi < sp->numLevels_local; ipHi++ )
        {
                hlone = sp->trans(ipHi,ipH1s).Coll().ColUL( colliders ) *
                  (sp->st[0].Pop()*
                  sp->st[ipHi].Boltzmann()*
                  sp->st[ipHi].g()/sp->st[0].g() - 
                  sp->st[ipHi].Pop())* 
                  sp->trans(ipHi,0).EnergyErg();
 
                if( ipHi == iso_ctrl.nLyaLevel[ipISO] )
                {
                        sp->cLya_cool = hlone;
 
                }
                else
                {
                        /* sum energy in higher lyman lines */
                        sp->cLyrest_cool += hlone;
                }
        }
 
        /* Balmer line collisional heating/cooling and derivative 
         * only used for print out, incorrect if not H so don't calculate it */
        sp->cBal_cool = 0.;
        if (nelem == ipHYDROGEN)
        {
                double boltzH2s =
                        sexp( (sp->st[2].energy().K()-sp->st[ipH2s].energy().K()) /
                                        phycon.te );
                double boltzH2p =
                        sexp( (sp->st[2].energy().K()-sp->st[ipH2p].energy().K()) /
                                        phycon.te );
                for( long ipHi=3; ipHi < sp->numLevels_local; ipHi++ )
                {
                        double bstep = 
                                sexp( (sp->st[ipHi].energy().K()-sp->st[ipHi-1].energy().K()) /
                                                phycon.te );
                        boltzH2s *= bstep;
                        boltzH2p *= bstep;
                        
                        /* single line cooling */
                        long ipLo = ipH2s;
                        hlone = 
                                sp->trans(ipHi,ipLo).Coll().ColUL( colliders ) *
                                (sp->st[ipLo].Pop()*
                                 boltzH2s*
                                 sp->st[ipHi].g()/sp->st[ipLo].g() - 
                                 sp->st[ipHi].Pop())*
                                sp->trans(ipHi,ipLo).EnergyErg();
                        ASSERT( sp->st[ipHi].energy().Erg() >
                                          sp->st[ipLo].energy().Erg()   );
                        
                        ipLo = ipH2p;
                        hlone += 
                                sp->trans(ipHi,ipLo).Coll().ColUL( colliders ) *
                                (sp->st[ipLo].Pop()*
                                 boltzH2p*
                                 sp->st[ipHi].g()/sp->st[ipLo].g() - 
                                 sp->st[ipHi].Pop())*
                                sp->trans(ipHi,ipLo).EnergyErg();
                        ASSERT( sp->st[ipHi].energy().Erg() >
                                          sp->st[ipLo].energy().Erg()   );
                        
                        /* this is only used to add to line array */
                        sp->cBal_cool += hlone;
                }
        }
 
        /* all hydrogen lines from Paschen on up, but not Balmer 
         * only used for printout, incorrect if not H so don't calculate it */
        sp->cRest_cool = 0.;
        if (nelem == ipHYDROGEN)
        {
                for (unsigned lev = 0; lev < Boltzmann.size(); ++lev)
                        Boltzmann[lev] = 1.;
                
                for( long ipHi=4; ipHi < sp->numLevels_local; ++ipHi )
                {
                        double bstep = 
                                sexp( (sp->st[ipHi].energy().K()-sp->st[ipHi-1].energy().K()) /
                                                phycon.te );
                        for ( long ipLo = 0; ipLo < ipHi; ++ipLo )
                                Boltzmann[ipLo] *= bstep;
 
                        for( long ipLo=3; ipLo < ipHi; ++ipLo )
                        {
                                hlone = 
                                        sp->trans(ipHi,ipLo).Coll().ColUL( colliders ) *
                                        (sp->st[ipLo].Pop()*
                                         Boltzmann[ipLo]*
                                         sp->st[ipHi].g()/sp->st[ipLo].g() - 
                                         sp->st[ipHi].Pop())*
                                        sp->trans(ipHi,ipLo).EnergyErg();
                                
                                sp->cRest_cool += hlone;
                        }
                }
        }
 
        /* add total line heating or cooling into stacks, derivatives */
        /* line energy exchange can be either heating or coolant
         * must add this to total heating or cooling, as appropriate */
        /* create a meaningful label */
        sprintf(chLabel , "ISclin%2s%2s" , elementnames.chElementSym[ipISO] , 
                elementnames.chElementSym[nelem]);
        if( sp->xLineTotCool > 0. )
        {
                /* species is a net coolant label gives iso sequence, "wavelength" gives element */
                CoolAdd(chLabel,(realnum)nelem,sp->xLineTotCool);
                thermal.dCooldT += dCdT_all;
                sp->dLTot = 0.;
        }
        else
        {
                /* species is a net heat source, thermal.heating[0][23]was set to 0 in CoolEvaluate*/
                thermal.heating[0][23] -= sp->xLineTotCool;
                CoolAdd(chLabel,(realnum)nelem,0.);
                sp->dLTot = -dCdT_all;
        }
 
        {
                /* debug print for understanding contributors to HLineTotCool */
                enum {DEBUG_LOC=false};
                if( DEBUG_LOC )
                {
                        if( nelem == 0 )
                        {
                                fprintf(ioQQQ,"%.2e la %.2f restly %.2f barest %.2f hrest %.2f\n",
                                        sp->xLineTotCool ,
                                        sp->cLya_cool/sp->xLineTotCool ,
                                        sp->cLyrest_cool/sp->xLineTotCool ,
                                        sp->cBal_cool/sp->xLineTotCool ,
                                        sp->cRest_cool/sp->xLineTotCool );
                        }
                }
        }
        {
                /* this is an option to print out each rate affecting each level in strict ste,
                 * this is a check that the rates are indeed in detailed balance */
                enum {DEBUG_LOC=false};
                enum {LTEPOP=true};
                /* special debug print for gas near STE */
                if( DEBUG_LOC  && (nelem==1 || nelem==0) )
                {
                        /* LTEPOP is option to assume STE for rates */
                        if( LTEPOP )
                        {
                                /* >>chng 06 aug 17, should go to numLevels_local instead of _max. */
                                for( long n=ipH1s; n<sp->numLevels_local; ++n )
                                {
                                        fprintf(ioQQQ,"%li\t%li\t%g\t%g\t%g\t%g\tT=\t%g\t%g\t%g\t%g\n", nelem,n,
                                                sp->fb[n].gamnc *sp->fb[n].PopLTE, 
                                                /* induced recom, intergral times hlte */
                                                /*sp->fb[n].RadRecomb[ipRecRad]+sp->rinduc[n]  ,*/
                                                /* >>chng 02 jan 22, remove rinduc, replace with RecomInducRate */
                                                sp->fb[n].RadRecomb[ipRecRad]+ 
                                                        sp->fb[n].RecomInducRate*sp->fb[n].PopLTE  ,
                                                /* induced rec */
                                                sp->fb[n].RecomInducRate*sp->fb[n].PopLTE  ,
                                                /* spontaneous recombination */
                                                sp->fb[n].RadRecomb[ipRecRad] ,
                                                /* heating, followed by two processes that must balance it */
                                                sp->fb[n].PhotoHeat*sp->fb[n].PopLTE, 
                                                sp->fb[n].RecomInducCool_Coef*sp->fb[n].PopLTE+sp->fb[n].RadRecCoolCoef,
                                                /* induced rec cooling, integral times hlte */
                                                sp->fb[n].RecomInducCool_Coef*sp->fb[n].PopLTE ,
                                                /* free-bound cooling per unit vol */
                                                sp->fb[n].RadRecCoolCoef );
                                }
                        }
                        else
                        {
                                /* >>chng 06 aug 17, should go to numLevels_local instead of _max. */
                                for( long n=ipH1s; n<sp->numLevels_local; ++n )
                                {
                                        fprintf(ioQQQ,"%li\t%li\t%g\t%g\t%g\t%g\tT=\t%g\t%g\t%g\t%g\n", nelem,n,
                                                sp->fb[n].gamnc*sp->st[n].Pop(), 
                                                /* induced recom, intergral times hlte */
                                                sp->fb[n].RadRecomb[ipRecRad]*edenIonAbund+
                                                        sp->fb[n].RecomInducRate*sp->fb[n].PopLTE *edenIonAbund ,
                                                sp->fb[n].RadRecomb[ipRecRad]*edenIonAbund ,
                                                sp->fb[n].RecomInducRate*sp->fb[n].PopLTE *edenIonAbund ,
                                                /* heating, followed by two processes that must balance it */
                                                SavePhotoHeat[n], 
                                                SaveInducCool[n]+sp->fb[n].RadRecCoolCoef*edenIonAbund ,
                                                /* induced rec cooling, integral times hlte */
                                                SaveInducCool[n] ,
                                                /* free-bound cooling per unit vol */
                                                sp->fb[n].RadRecCoolCoef*edenIonAbund );
                                }
                        }
                }
        }
 
        /* Add Coolant together */
        for( int i = coolnum; i < thermal.ncltot ; i++ )
                thermal.elementcool[nelem] += thermal.cooling[i];
        
        return;
}
#if defined(__HP_aCC)
#pragma OPTIMIZE OFF
#pragma OPTIMIZE ON
#endif
 
STATIC double iso_rad_rec_cooling_approx( long ipISO, long nelem )
{
        DEBUG_ENTRY( "iso_rad_rec_cooling_approx()" );
        
        t_iso_sp* sp = &iso_sp[ipISO][nelem];
 
        /* now do case b sum to compare with exact value below */
        double ThinCoolingSum = 0.;
 
        /* radiative recombination cooling for all excited states */
        for( long n=0; n < sp->numLevels_local; n++ )
        {
                double thin = 0.;
 
                if( n==0 && ipISO==ipH_LIKE )
                {
                        /* do ground with special approximate fits to Ferland et al. '92 */
                        thin = HydroRecCool(
                                /* n is the prin quantum number on the physical scale */
                                1 , 
                                /* nelem is the charge on the C scale, 0 is hydrogen */
                                nelem);
                }
                else
                {
                        /* this is the cooling before correction for optical depths */
                         thin = sp->fb[n].RadRecomb[ipRecRad]*
                                /* arg is the scaled temperature, T * n^2 / Z^2, 
                                 * n is principal quantum number, Z is charge, 1 for H */
                                HCoolRatio( 
                                phycon.te * POW2( (double)sp->st[n].n() / (double)(nelem+1-ipISO) ))*
                                /* convert results to energy per unit vol */
                                phycon.te * BOLTZMANN;
                }
 
                /* the cooling, corrected for optical depth */
                sp->fb[n].RadRecCoolCoef = sp->fb[n].RadRecomb[ipRecNetEsc] * thin;
 
                /* keep track of case b sum for topoff below */
                if( n > 0 )
                        ThinCoolingSum += thin;
        }
 
        return ThinCoolingSum;
}
 
STATIC double iso_rad_rec_cooling_extra( long ipISO, long nelem, const double& ThinCoolingSum )
{
        DEBUG_ENTRY( "iso_rad_rec_cooling_extra()" );
        
        t_iso_sp* sp = &iso_sp[ipISO][nelem];
        
        double RecCoolExtra = 0.;
        double ThinCoolingCaseB = 0.;
 
        /* Case b sum of optically thin radiative recombination cooling. 
         * add any remainder to the sum from above - high precision is needed 
         * to get STE result to converge close to equilibrium - only done for
         * H-like ions where exact result is known */
        if( ipISO == ipH_LIKE )
        {
                /* these expressions are only valid for hydrogenic sequence */
                if( nelem == 0 )
                {
                        /*expansion for hydrogen itself */
                        ThinCoolingCaseB = (-25.859117 + 
                        0.16229407*phycon.telogn[0] + 
                        0.34912863*phycon.telogn[1] - 
                        0.10615964*phycon.telogn[2])/(1. + 
                        0.050866793*phycon.telogn[0] - 
                        0.014118924*phycon.telogn[1] + 
                        0.0044980897*phycon.telogn[2] + 
                        6.0969594e-5*phycon.telogn[3]);
                }
                else
                {
                        /* same expansion but for hydrogen ions */
                        ThinCoolingCaseB = (-25.859117 + 
                        0.16229407*(phycon.telogn[0]-phycon.sqlogz[nelem-ipISO]) + 
                        0.34912863*POW2(phycon.telogn[0]-phycon.sqlogz[nelem-ipISO]) - 
                        0.10615964*powi( (phycon.telogn[0]-phycon.sqlogz[nelem-ipISO]),3) )/(1. + 
                        0.050866793*(phycon.telogn[0]-phycon.sqlogz[nelem-ipISO]) - 
                        0.014118924*POW2(phycon.telogn[0]-phycon.sqlogz[nelem-ipISO]) + 
                        0.0044980897*powi( (phycon.telogn[0]-phycon.sqlogz[nelem-ipISO]),3) + 
                        6.0969594e-5*powi( (phycon.telogn[0]-phycon.sqlogz[nelem-ipISO]),4) );
                }
 
                /* now convert to linear cooling coefficient */
                ThinCoolingCaseB = POW3(1.+nelem-ipISO)*pow(10.,ThinCoolingCaseB)/(phycon.te/POW2(1.+nelem-ipISO) );
 
                /* this is the error, expect positive since do not include infinite number of levels */
                RecCoolExtra = ThinCoolingCaseB - ThinCoolingSum;
        }
        else
        {
                ThinCoolingCaseB = 0.;
                RecCoolExtra = 0.;
        }
 
        /* don't let the extra be negative - should be positive if H-like, negative for
         * he-like only due to real difference in recombination coefficients */
        RecCoolExtra = MAX2(0., RecCoolExtra );
 
        return RecCoolExtra * sp->fb[sp->numLevels_local-1].RadRecomb[ipRecNetEsc];
}