rt_continuum.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 */
/*RT_continuum attenuation of diffuse and beamed continua */
/*pnegopc save negative opacities on io unit, iff 'set negopc' command was given */
#include "cddefines.h"
#include "rt.h"
#include "rfield.h"
#include "opacity.h"
#include "dense.h"
#include "geometry.h"
#include "trace.h"
#include "radius.h"
#include "iso.h"
#include "hextra.h"
#include "mole.h"
#include "freebound.h"
#include "cosmology.h"
#include "vectorize.h"

/*cmshft - so Compton scattering shift of spectrum 
 * this code is a placeholder */
STATIC void cmshft(void)
{
        DEBUG_ENTRY( "cmshft()" );

        /* first check whether Compton scattering is in as heat/cool */
        if( !rfield.lgComptonOn )
        { 
                return;
        }

        if( rfield.lgComptonOn )
        { 
                return;
        }

        /* do reshuffle */
        for( long i=0; i < rfield.nflux; i++ )
        {
                continue;
        }
        return;
}


#if !defined(NDEBUG)
/*pnegopc save negative opacities on io unit, iff 'set negopc' command was given */
STATIC void pnegopc(void)
{
        FILE *ioFile;

        DEBUG_ENTRY( "pnegopc()" );

        if( opac.lgNegOpacIO )
        {
                /* option to save negative opacities */
                ioFile = open_data( "negopc.txt", "w" );
                for( long i=0; i < rfield.nflux; i++ )
                {
                        fprintf( ioFile, "%10.2e %10.2e \n", rfield.anu(i), 
                                opac.opacity_abs[i] );
                }
                fclose( ioFile);
        }
        return;
}
#endif

/*RT_continuum attenuation of diffuse and beamed continua */
void RT_continuum(void)
{
        DEBUG_ENTRY( "RT_continuum()" );

        if( trace.lgTrace && trace.lgConBug )
        {
                fprintf( ioQQQ, " Energy, flux, OTS:\n" );
                for( long i=0; i < rfield.nflux; i++ )
                {
                        fprintf( ioQQQ, "%6ld%10.2e%10.2e%10.2e", i, rfield.anu(i), 
                                rfield.flux[0][i] + rfield.outlin[0][i] + rfield.ConInterOut[i], 
                                rfield.otscon[i] + rfield.otslin[i] + rfield.outlin_noplot[i]);
                }
                fprintf( ioQQQ, "\n" );
        }

        /* begin sanity check in debug mode */
#       if !defined(NDEBUG)
        bool lgFlxNeg = false;
        for( long i=0; i < rfield.nflux; i++ )
        {
                if( rfield.flux[0][i] < 0. )
                {
                        fprintf( ioQQQ, " radius_increment finds negative intensity in flux.\n" );
                        fprintf( ioQQQ, " Intensity, frequency, pointer=%11.3e%11.3e%6ld\n", 
                                rfield.flux[0][i], rfield.anu(i), i );
                        lgFlxNeg = true;
                }
                if( rfield.otscon[i] < 0. )
                {
                        fprintf( ioQQQ, " radius_increment finds negative intensity in otscon.\n" );
                        fprintf( ioQQQ, " Intensity, frequency, pointer=%11.3e%11.3e%6ld\n", 
                                rfield.otscon[i], rfield.anu(i), i );
                        lgFlxNeg = true;
                }
                if( opac.tmn[i] < 0. )
                {
                        fprintf( ioQQQ, " radius_increment finds negative tmn.\n" );
                        fprintf( ioQQQ, " value, frequency, pointer=%11.3e%11.3e%6ld %4.4s\n", 
                                opac.tmn[i], rfield.anu(i), i, rfield.chLineLabel[i].c_str() );
                        lgFlxNeg = true;
                }
                if( rfield.otslin[i] < 0. )
                {
                        fprintf( ioQQQ, " radius_increment finds negative intensity in otslin.\n" );
                        fprintf( ioQQQ, " Intensity, frequency, pointer=%11.3e%11.3e%6ld %4.4s\n", 
                                rfield.otslin[i], rfield.anu(i), i, rfield.chLineLabel[i].c_str()  );
                        lgFlxNeg = true;
                }
                if( rfield.outlin[0][i] < 0. )
                {
                        fprintf( ioQQQ, " radius_increment finds negative intensity in outlin.\n" );
                        fprintf( ioQQQ, " Intensity, frequency, pointer=%11.3e%11.3e%6ld %4.4s\n", 
                                rfield.outlin[0][i], rfield.anu(i), i, rfield.chLineLabel[i].c_str()  );
                        lgFlxNeg = true;
                }
                if( rfield.ConInterOut[i] < 0. )
                {
                        fprintf( ioQQQ, " radius_increment finds negative intensity in ConInterOut.\n" );
                        fprintf( ioQQQ, " Intensity, frequency, pointer=%11.3e%11.3e%6ld %4.4s\n", 
                                rfield.ConInterOut[i], rfield.anu(i), i, rfield.chContLabel[i].c_str()  );
                        lgFlxNeg = true;
                }
                if( opac.opacity_abs[i] < 0. )
                {
                        opac.lgOpacNeg = true;
                        /* this sub will save negative opacities on io unit,
                         * iff 'set negopc' command was given */
                        pnegopc();
                }
        }
        if( lgFlxNeg )
        {
                fprintf( ioQQQ, " Insanity has occurred, this is zone%4ld\n", 
                        nzone );
                ShowMe();
                cdEXIT(EXIT_FAILURE);
        }
        /*end sanity check*/
#       endif

        // ratio of inner to outer radii, at this point
        // radius is the outer radius of this zone 
        double DilutionHere = POW2((radius.Radius - radius.drad*radius.dRadSign)/
                radius.Radius);

        rfield.EnergyIncidCont = 0.;
        rfield.EnergyDiffCont = 0.;

        // attenuation of flux by optical depths IN THIS ZONE 
        // DirectionalCosin is 1/COS(theta), is usually 1, reset with illuminate command,
        // option for illumination of slab at an angle 
        double fac = radius.drad_x_fillfac*geometry.DirectionalCosin;
        for( long i=0; i < rfield.nflux; i++ )
                rfield.vexp_arg[i] = -opac.opacity_abs[i]*fac;
        vexp( get_ptr(rfield.vexp_arg), get_ptr(opac.ExpZone), 0, rfield.nflux );
        // this loop should not be to <= nflux since highest cell is for
        // continuum unit integration
        // scattering opacities are included in energy exchange here in the
        // sphere case, since photons diffuse out of the closed sphere.
        // scattering opacities are not included as extinction sources in the
        // sphere case
        for( long i=0; i < rfield.nflux; i++ )
        {
                if( cosmology.lgDo )
                {
                        opac.TauAbsGeo[0][i] = 0.;
                        opac.TauScatGeo[0][i] = 0.;
                        opac.TauAbsFace[i] = 0.;
                        opac.TauScatFace[i] = 0.;
                }

                double dTau_abs = opac.opacity_abs[i]*radius.drad_x_fillfac;
                double dTau_sct = opac.opacity_sct[i]*radius.drad_x_fillfac;

                // sum total continuous optical depths
                opac.TauAbsGeo[0][i] += (realnum)(dTau_abs);
                opac.TauScatGeo[0][i] += (realnum)(dTau_sct);

                // following only optical depth to illuminated face
                opac.TauAbsFace[i] += (realnum)(dTau_abs);
                opac.TauScatFace[i] += (realnum)(dTau_sct);

                // these are total in inward direction, large if spherical
                opac.TauTotalGeo[0][i] = opac.TauAbsGeo[0][i] + opac.TauScatGeo[0][i];

                // e(-tau) in inward direction, up to illuminated face
                opac.ExpmTau[i] *= (realnum)opac.ExpZone[i];

                // e2(tau) in inward direction, up to illuminated face 
                opac.E2TauAbsFace[i] = (realnum)e2(opac.TauAbsFace[i]);
                ASSERT( opac.E2TauAbsFace[i] <= 1. && opac.E2TauAbsFace[i] >= 0. );

                // on second and later iterations define outward E2
                if( iteration > 1 )
                {
                        // e2 from current position to outer edge of shell 
                        realnum tau = MAX2(SMALLFLOAT , opac.TauAbsTotal[i] - opac.TauAbsFace[i] );
                        opac.E2TauAbsOut[i] = (realnum)e2( tau );
                        ASSERT( opac.E2TauAbsOut[i]>=0. && opac.E2TauAbsOut[i]<=1. );
                }

                // DilutionHere is square of ratio of inner to outer radius
                double AttenuationDilutionFactor = opac.ExpZone[i]*DilutionHere;
                ASSERT( AttenuationDilutionFactor <= 1.0 );

                // continuum has three parts 
                rfield.flux_beam_const[i] *= (realnum)AttenuationDilutionFactor;
                rfield.flux_beam_time[i] *= (realnum)AttenuationDilutionFactor;
                rfield.flux_isotropic[i] *= (realnum)AttenuationDilutionFactor;
                rfield.flux[0][i] = rfield.flux_beam_const[i] + rfield.flux_beam_time[i] +
                        rfield.flux_isotropic[i];

                // update SummedCon here since flux changed
                rfield.SummedCon[i] = rfield.flux[0][i] + rfield.SummedDif[i];
                rfield.SummedOcc[i] = rfield.SummedCon[i]*rfield.convoc[i];

                // outward lines and diffuse continua 
                rfield.outlin[0][i] *= (realnum)AttenuationDilutionFactor;
                rfield.outlin_noplot[i] *= (realnum)AttenuationDilutionFactor;

                // interactive outward diffuse continuum
                // This fixit() originally was a call to TestCode() and was merged from the rt branch.
                // The rt branch was subsequently modified, apparantly to fix the problem mentioned below.
                // These changes on the rt branch seem to have never been merged to the trunk.
                // See also the mail on cloudy-dev "!Test code is in place." dated 2016-02-10 09:34 UTC
                fixit("moved from rt_diffuse; this preserves the original order of the next 2 lines and is incorrect");
                rfield.ConInterOut[i] += rfield.DiffuseEscape[i]*(realnum)radius.dVolOutwrd;
                rfield.ConInterOut[i] *= (realnum)AttenuationDilutionFactor;

                // this is not the interacting continuum 
                rfield.ConEmitOut[0][i] *= (realnum)AttenuationDilutionFactor;
                rfield.ConEmitOut[0][i] += rfield.ConEmitLocal[nzone][i]*(realnum)radius.dVolOutwrd*opac.tmn[i];

                // set occupation numbers, first attenuated incident continuum 
                rfield.OccNumbIncidCont[i] = rfield.flux[0][i]*rfield.convoc[i];

                // local diffuse continua 
                rfield.OccNumbDiffCont[i] = rfield.ConEmitLocal[nzone][i]*rfield.convoc[i];

                // outward diffuse continuum 
                rfield.OccNumbContEmitOut[i] = rfield.ConEmitOut[0][i]*rfield.convoc[i];

                // integrated energy flux, ergs s^-1 cm^-2 
                rfield.EnergyIncidCont += rfield.flux[0][i]*rfield.anu(i);
                rfield.EnergyDiffCont += (rfield.outlin[0][i] + rfield.outlin_noplot[i] +
                        rfield.ConInterOut[i])* rfield.anu(i);
        }

        rfield.setTrimming();

        // convert Ryd to erg 
        rfield.EnergyIncidCont *= (realnum)EN1RYD;
        rfield.EnergyDiffCont *= (realnum)EN1RYD;

        // sanity check, compare total Lyman continuum optical depth 
        // with amount of extinction there
        // this is amount continuum attenuated to illuminated face, 
        // but only do test if flux positive, not counting scattering opacity,
        // and correction for spherical dilution not important 
        if( rfield.flux[0][iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]>SMALLFLOAT &&
                (rfield.flux[0][iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]/
                SDIV(rfield.flux_total_incident[0][iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]) ) > SMALLFLOAT && 
                !opac.lgScatON &&
                radius.depth/radius.Radius < 1e-4 )
        {
                // ratio of current to incident continuum, converted to optical depth
                /* >>chng 99 apr 23, this crashed on alpha due to underflow to zero in argy
                * to log.  defended two ways - above checks that ratio of fluxes is large enough, 
                * and here convert to double.
                * error found by Peter van Hoof */
                double tau_effec = -log((double)rfield.flux[0][iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]/
                        (double)opac.tmn[iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]/
                        (double)rfield.flux_total_incident[0][iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]);

                // this is computed absorption optical depth to illuminated face
                double tau_true = opac.TauAbsFace[iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]*geometry.DirectionalCosin;

                // first test is relative error, second is to absolute error and comes
                // in for very small tau, where differences are in the round-off 
                if( fabs( tau_effec - tau_true ) / MAX2(tau_effec , tau_true) > 0.01 && 
                        // for very small inner optical depths, the tmn correction is major,
                        // and this test is not precise
                        fabs(tau_effec-tau_true)>MAX2(0.001,1.-opac.tmn[iso_sp[ipH_LIKE][ipHYDROGEN].fb[0].ipIsoLevNIonCon-1]) )
                {
                        // in print below must add extra HI col den since this will later be
                        // incremented in RT_tau_inc 
                        fprintf( ioQQQ,
                                " PROBLEM radius_increment Lyman continuum insanity zone %li, effective tau=%g, atomic tau=%g simple tau=%g\n",
                                nzone, 
                                tau_effec , 
                                tau_true ,
                                6.327e-18*(dense.xIonDense[ipHYDROGEN][0]*radius.drad_x_fillfac+findspecieslocal("H")->column) );
                        TotalInsanity();
                }
        }

        // do scattering opacity, not included when sphere is set
        if( opac.lgScatON )
        {
                for( long i=0; i < rfield.nflux; i++ )
                {
                        // Lightman and White equation 11 in small epsilon limit,
                        // >>refer      continuum       RT      Lightman, A.P., & White, T.R. 1988, ApJ, 335, 57 */
                        double AttenuationScatteringFactor = 1./(1. + radius.drad_x_fillfac*opac.opacity_sct[i]);
                        ASSERT( AttenuationScatteringFactor <= 1.0 );
                        rfield.flux_beam_const[i] *= (realnum)AttenuationScatteringFactor;
                        rfield.flux_beam_time[i] *= (realnum)AttenuationScatteringFactor;
                        rfield.flux_isotropic[i] *= (realnum)AttenuationScatteringFactor;
                        rfield.flux[0][i] = rfield.flux_beam_const[i] + rfield.flux_beam_time[i] +
                                rfield.flux_isotropic[i];

                        rfield.ConInterOut[i] *= (realnum)AttenuationScatteringFactor;
                        rfield.ConEmitOut[0][i] *= (realnum)AttenuationScatteringFactor;
                        rfield.outlin[0][i] *= (realnum)AttenuationScatteringFactor;
                        rfield.outlin_noplot[i] *= (realnum)AttenuationScatteringFactor;
                }
        }

        // this dilution is needed to conserve volume in spherical models.  tests such
        // as parispn.in will fault if this is removed
        realnum Dilution = realnum(pow2(radius.rinner)/(radius.Radius*(radius.Radius-radius.drad)));

        // this is a unit of energy that will be passed through the code as a test
        // that all integrations are carried out.  A similar test is set in lineset1
        // and verified in PrtFinal.  The opacity at this cell is zero so only
        // geometrical dilution will affect the integral
        // Radius is currently outer edge of zone, so radius-drad/2 is radius
        // of center of zone 
        rfield.ConEmitLocal[nzone][rfield.nflux] = 1.e-10f * Dilution;
        rfield.DiffuseEscape[rfield.nflux] = 1.e-10f * Dilution;
        // must do unit integration somewhere 
        rfield.ConInterOut[rfield.nflux] += 
                rfield.DiffuseEscape[rfield.nflux]*(realnum)radius.dVolOutwrd;

        // opacity should be zero at this energy so J not changed elsewhere
        ASSERT( opac.opacity_abs[rfield.nflux] == 0. );

        // placeholder code for Compton scattering 
        cmshft();

        // attenuate neutrons if they are present 
        if( hextra.lgNeutrnHeatOn )
        {
                // correct for optical depth effects 
                hextra.totneu *= (realnum)sexp(hextra.CrsSecNeutron*
                        dense.gas_phase[ipHYDROGEN]*radius.drad_x_fillfac*geometry.DirectionalCosin);
                // correct for spherical effects 
                hextra.totneu *= (realnum)DilutionHere;
        }

        // following radiation factors are extinguished by 1/r**2ilution, electron
        // scattering by free and bound electrons

        // do all emergent spectrum from illuminated face if model is NOT spherical
        if( !geometry.lgSphere )
        {
                double Reflec_Diffuse_Cont;

                // emission starting at the the plasma frequency
                for( long i=rfield.ipPlasma-1; i < rfield.nflux; i++ )
                {
                        if( opac.TauAbsGeo[0][i] < 30. )
                        {
                                // ConEmitLocal is diffuse emission per unit vol, fill factor
                                // the 1/2 comes from isotropic emission 
                                Reflec_Diffuse_Cont = rfield.ConEmitLocal[nzone][i]/2.*
                                        radius.drad_x_fillfac * opac.E2TauAbsFace[i]*radius.r1r0sq;

                                // ConEmitReflec - reflected diffuse continuum
                                rfield.ConEmitReflec[0][i] += (realnum)(Reflec_Diffuse_Cont);

                                // the reflected part of the incident continuum
                                rfield.ConRefIncid[0][i] += (realnum)(rfield.flux[0][i]*opac.opacity_sct[i]*
                                        radius.drad_x_fillfac*opac.E2TauAbsFace[i]*radius.r1r0sq);

                                // reflected line emission 
                                rfield.reflin[0][i] += (realnum)(rfield.outlin[0][i]*opac.opacity_sct[i]*
                                        radius.drad_x_fillfac*opac.E2TauAbsFace[i]*radius.r1r0sq);
                        }
                }
        }
        return;
}