ionbal.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 */
#include "cddefines.h"
#include "ionbal.h"
#include "dense.h"
#include "warnings.h"

t_ionbal ionbal;

void t_ionbal::alloc()
{
        /* these will save bound electron recoil information data */
        ipCompRecoil = 
                (long**)MALLOC(sizeof(long*)*(unsigned)LIMELM );
        CompRecoilIonRate = 
                (double**)MALLOC(sizeof(double*)*(unsigned)LIMELM );
        CompRecoilIonRateSave = 
                (double**)MALLOC(sizeof(double*)*(unsigned)LIMELM );
        CompRecoilHeatRate = 
                (double**)MALLOC(sizeof(double*)*(unsigned)LIMELM );
        CompRecoilHeatRateSave = 
                (double**)MALLOC(sizeof(double*)*(unsigned)LIMELM );
        PhotoRate_Shell = 
                (double****)MALLOC(sizeof(double***)*(unsigned)LIMELM );
        CollIonRate_Ground = 
                (double***)MALLOC(sizeof(double**)*(unsigned)LIMELM );
        ExcitationGround = 
                (double**)MALLOC(sizeof(double*)*(unsigned)LIMELM );
        UTA_ionize_rate = 
                (double**)MALLOC(sizeof(double*)*(unsigned)LIMELM );
        UTA_heat_rate = 
                (double**)MALLOC(sizeof(double*)*(unsigned)LIMELM );
        /* space for ionization recombination arrays */
        RateIoniz = (double ***)MALLOC(sizeof(double **)*(unsigned)LIMELM );
        RateRecomTot = (double **)MALLOC(sizeof(double *)*(unsigned)LIMELM );
        RateRecomIso = (double **)MALLOC(sizeof(double *)*(unsigned)LIMELM );
        RR_rate_coef_used = (double **)MALLOC(sizeof(double *)*(unsigned)LIMELM );
        RR_Verner_rate_coef = (double **)MALLOC(sizeof(double *)*(unsigned)LIMELM );
        
        /* rate coefficients [cm3 s-1] for Badnell DR recombination */
        DR_Badnell_rate_coef = (double **)MALLOC(sizeof(double *)*(unsigned)LIMELM );
        RR_Badnell_rate_coef = (double **)MALLOC(sizeof(double *)*(unsigned)LIMELM );
        CX_recomb_rate_used = (double **)MALLOC(sizeof(double *)*(unsigned)LIMELM );

        DR_Badnell_suppress_fact.reserve( LIMELM );
        
        /* create arrays for ions */
        for( long nelem=0; nelem<LIMELM; ++nelem )
        {
                DR_Badnell_rate_coef[nelem] = (double *)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                RR_Badnell_rate_coef[nelem] = (double *)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                CX_recomb_rate_used[nelem] = (double *)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                
                RateIoniz[nelem] = (double **)MALLOC(sizeof(double *)*(unsigned)(nelem+1) );
                RateRecomTot[nelem] = (double *)MALLOC(sizeof(double)*(unsigned)(nelem+1) );                                    
                
                for( long ion=0; ion<nelem+1; ++ion )
                {
                        RateIoniz[nelem][ion] = (double *)MALLOC(sizeof(double )*(unsigned)(nelem+2) );
                        for( long ion2=0; ion2<nelem+2; ++ion2 )
                                RateIoniz[nelem][ion][ion2] = 0.;
                }
                
                RR_rate_coef_used[nelem] = (double *)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                RR_Verner_rate_coef[nelem] = (double *)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                UTA_ionize_rate[nelem] = 
                        (double*)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                UTA_heat_rate[nelem] = 
                        (double*)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                ipCompRecoil[nelem] = 
                        (long*)MALLOC(sizeof(long)*(unsigned)(nelem+1) );
                CompRecoilIonRate[nelem] = 
                        (double*)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                CompRecoilIonRateSave[nelem] = 
                        (double*)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                CompRecoilHeatRate[nelem] = 
                        (double*)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                CompRecoilHeatRateSave[nelem] = 
                        (double*)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                PhotoRate_Shell[nelem] = 
                        (double***)MALLOC(sizeof(double**)*(unsigned)(nelem+1) );
                CollIonRate_Ground[nelem] = 
                        (double**)MALLOC(sizeof(double*)*(unsigned)(nelem+1) );
                ExcitationGround[nelem] = 
                        (double*)MALLOC(sizeof(double)*(unsigned)(nelem+1) );
                RateRecomIso[nelem] = (double *)MALLOC(sizeof(double)*(unsigned)(NISO) );
                for( long ipISO=0; ipISO<NISO; ++ipISO )
                {
                        RateRecomIso[nelem][ipISO] = 0.;        
                }

                for( long ion=0; ion<nelem+1; ++ion )
                {
                        /* >>chng 03 aug 09, set these to impossible values */
                        RateRecomTot[nelem][ion] = -1.;
                        UTA_ionize_rate[nelem][ion] = -1.;
                        UTA_heat_rate[nelem][ion] = -1.;
                        ipCompRecoil[nelem][ion] = -99;
                        CompRecoilIonRate[nelem][ion] = -1.;
                        CompRecoilIonRateSave[nelem][ion] = -1.;
                        CompRecoilHeatRate[nelem][ion] = -1.;
                        CompRecoilHeatRateSave[nelem][ion] = -1.;
                        
                        /* finish mallocing space */
                        PhotoRate_Shell[nelem][ion] = 
                                (double**)MALLOC(sizeof(double*)*(unsigned)NSHELLS );
                        CollIonRate_Ground[nelem][ion] = 
                                (double*)MALLOC(sizeof(double)*(unsigned)2 );
                        for( long ns=0; ns<NSHELLS; ++ns )
                        {
                                PhotoRate_Shell[nelem][ion][ns] = 
                                        (double*)MALLOC(sizeof(double)*(unsigned)3 );
                        }
                        
                        /* now set to impossible values */
                        ipCompRecoil[nelem][ion] = -100000;
                        DR_Badnell_rate_coef[nelem][ion] = 0.;
                        RR_Badnell_rate_coef[nelem][ion] = 0.;
                }
                
                set_NaN( RR_rate_coef_used[nelem], nelem+1 );
                set_NaN( RR_Verner_rate_coef[nelem], nelem+1 );
                set_NaN( CX_recomb_rate_used[nelem], nelem+1 );

                DR_Badnell_suppress_fact.reserve( nelem, nelem+1 );
        }

        DR_Badnell_suppress_fact.alloc();
}

void t_ionbal::zero()
{
        /* now zero out these arrays */
        for( long nelem=0; nelem< LIMELM; ++nelem )
        {
                for( long ion=0; ion<nelem+1; ++ion )
                {

                        CompRecoilHeatRate[nelem][ion] = 0.;
                        CompRecoilIonRate[nelem][ion] = 0.;
                        UTA_ionize_rate[nelem][ion] = 0.;
                        UTA_heat_rate[nelem][ion] = 0.;
                        CollIonRate_Ground[nelem][ion][0] = 0.;
                        CollIonRate_Ground[nelem][ion][1] = 0.;
                        ExcitationGround[nelem][ion] = 0.;
                        RateRecomTot[nelem][ion] = 0.;
                        for( long ns=0; ns < NSHELLS; ++ns )
                        {
                                /* must be zero since ion routines use these when
                                 * not yet defined */
                                PhotoRate_Shell[nelem][ion][ns][0] = 0.;
                                PhotoRate_Shell[nelem][ion][ns][1] = 0.;
                                PhotoRate_Shell[nelem][ion][ns][2] = 0.;
                        }
                }
        }

        /* limits for highest and lowest stages of ionization in TrimStage */
        lgTrimhiOn = true;
        trimhi = 1e-6;
        lgTrimloOn = true;
        trimlo = 1e-10;
        lgNewTrim = false;
        
        lgPhotoIoniz_On = true;
        lgCompRecoil = true;

        lgDRsup = true;

        lgNoCota = false;
        for( long nelem = 0; nelem < LIMELM; ++nelem )
        {
                CotaRate[nelem] = 0.;
        }
        ilt = 0;
        iltln = 0;
        ilthn = 0;
        ihthn = 0;
        ifail = 0;
        lgGrainIonRecom = true;

        /* option to print recombination coefficient then exit */
        lgRecom_Badnell_print = false;
        guess_noise = 0.;

} 

void t_ionbal::comment(t_warnings& w)
{
        char chLine[INPUT_LINE_LENGTH];

        if( ionbal.CompHeating_Max > 0.05 )
        {
                sprintf( chLine, 
                        "  !Bound Compton heating reached %.2f%% of the local heating.", 
                  ionbal.CompHeating_Max*100. );
                w.bangin(chLine);
        }
        else if( ionbal.CompHeating_Max > 0.01 )
        {
                sprintf( chLine, 
                        "   Bound Compton heating reached %.2f%% of the local heating.", 
                  ionbal.CompHeating_Max*100. );
                w.notein(chLine);
        }

        /* say if 3-body recombination coefficient function outside range of validity
         * tripped if te/z**2 < 100 or approx 10**13: => effect >50% of radiative
         * other integers defined in source for da */
        if( ionbal.ifail > 0 && ionbal.ifail <= 10 )
        {
                sprintf( chLine, 
                        "   3 body recombination coefficient outside range %ld", ionbal.ifail );
                w.notein(chLine);
        }
        else if( ionbal.ifail > 10 )
        {
                sprintf( chLine, 
                        " C-3 body recombination coefficient outside range %ld", ionbal.ifail );
                w.caunin(chLine);
        }
}

double t_ionbal::RateIonizTot( long nelem, long ion ) const
{
        double sum = 0.;
        
        for( long ion_to=ion+1; ion_to<=dense.IonHigh[nelem]; ion_to++ )
                sum += RateIoniz[nelem][ion][ion_to];
        
        return sum;
}