init_coreload.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 */
/*InitCoreload one time initialization of core load, called from cdDrive, this sets
* minimum set of values needed for the code to start - called after
* input lines have been read in and checked for VARY or GRID - so
* known whether single or multiple sims will be run */
#include "cddefines.h"
#include "init.h"
#include "parse.h"
#include "struc.h"
#include "atmdat.h"
#include "hcmap.h"
#include "h2.h"
#include "hextra.h"
#include "heavy.h"
#include "ionbal.h"
#include "iso.h"
#include "taulines.h"
#include "cosmology.h"
#include "broke.h"
#include "dense.h"
#include "optimize.h"

// //////////////////////////////////////////////////////////////////////////
//
//
// NB DO NOT ADD VARIABLES TO THIS FILE!  THE GOAL IS TO REMOVE THIS FILE
// initialization of variables done one time per coreload should be done in
// a constructor for the data
//
//
// //////////////////////////////////////////////////////////////////////////

/*InitCoreload one time initialization of core load, called from cdDrive, this sets
* minimum set of values needed for the code to start - called after
* input lines have been read in and checked for VARY or GRID - so
* known whether single or multiple sims will be run */
void InitCoreload( void )
{
        static int nCalled=0;
        long int nelem;

        DEBUG_ENTRY( "InitCoreload()" );

        /* return if already called */
        if( nCalled )
                return;

        ++nCalled;

        hcmap.lgMapOK = true;
        hcmap.lgMapDone = false;

        /* will be reset to positive number when map actually done */
        hcmap.nMapAlloc = 0;
        hcmap.nmap = 0;
        hcmap.lgMapBeingDone = false;

        /* name of output file from optimization run */
        strncpy( chOptimFileName , "optimal.in" , sizeof( chOptimFileName ) );

        /* number of electrons in valence shell that can Compton recoil ionize */
        long int nCom[LIMELM] = 
        {
                1 , 2 ,                                                         /* K 1s shell */
                1 , 2 ,                                                         /* L 2s shell */
                1 , 2 , 3 , 4 , 5 , 6 ,                         /* L 2p shell */
                1 , 2 ,                                                         /* M 3s shell */
                1 , 2 , 3 , 4 , 5 , 6 ,                         /* M 3p shell */
                1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 ,         /* M 3d shell */
                1 , 2 ,                                                         /* N 4s shell */
                1 , 2                                                           /* N 4p shell */
        };

        for( nelem=ipHYDROGEN; nelem<LIMELM; ++nelem )
        {
                ionbal.nCompRecoilElec[nelem] = nCom[nelem];
        }

        /* list of shells, 1 to 7 */
        strcpy( Heavy.chShell[0], "1s" );
        strcpy( Heavy.chShell[1], "2s" );
        strcpy( Heavy.chShell[2], "2p" );
        strcpy( Heavy.chShell[3], "3s" );
        strcpy( Heavy.chShell[4], "3p" );
        strcpy( Heavy.chShell[5], "3d" );
        strcpy( Heavy.chShell[6], "4s" );
        
        /* variables for H-like sequence */
        /* default number of levels for hydrogen iso sequence */
        for( nelem=ipHYDROGEN; nelem < LIMELM; ++nelem )
        {
                iso_sp[ipH_LIKE][nelem].n_HighestResolved_max = 5;
                iso_sp[ipH_LIKE][nelem].nCollapsed_max = 2;
        }

        /* add more collapsed levels for these abundant elements.  Tests
         * show collapsed levels have very little impact on time */
        iso_sp[ipH_LIKE][ipCARBON].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][ipNITROGEN].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][ipOXYGEN].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][ipNEON].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][ipSILICON].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][ipMAGNESIUM].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][ipSULPHUR].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][ipIRON].nCollapsed_max = 5;
        iso_sp[ipH_LIKE][LIMELM-1].nCollapsed_max = 5;

        /* H and He are special cases since very high resolution, S/N
         * optical / IR data are common
         */
        iso_sp[ipH_LIKE][ipHYDROGEN].n_HighestResolved_max = 10;
        iso_sp[ipH_LIKE][ipHYDROGEN].nCollapsed_max = 15;

        iso_sp[ipH_LIKE][ipHELIUM].n_HighestResolved_max = 10;
        iso_sp[ipH_LIKE][ipHELIUM].nCollapsed_max = 15;

        /* variables for He-like sequence */
        /* "he-like" hydrogen (H-) is treated elsewhere */
        iso_sp[ipHE_LIKE][ipHYDROGEN].n_HighestResolved_max = -LONG_MAX;
        iso_sp[ipHE_LIKE][ipHYDROGEN].numLevels_max = -LONG_MAX;
        iso_sp[ipHE_LIKE][ipHYDROGEN].nCollapsed_max = -LONG_MAX;

        for( nelem=ipHELIUM; nelem < LIMELM; ++nelem )
        {
                /* put at least three resolved and 1 collapsed in every element for he-like
                 * An n shell for He has twice the number of resolved levels due to singlet/triplet */
                iso_sp[ipHE_LIKE][nelem].n_HighestResolved_max = 3;
                iso_sp[ipHE_LIKE][nelem].nCollapsed_max = 2;
        }

        /* And n=5 for these because they are most abundant */
        iso_sp[ipHE_LIKE][ipCARBON].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipCARBON].nCollapsed_max = 5;
        iso_sp[ipHE_LIKE][ipNITROGEN].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipNITROGEN].nCollapsed_max = 5;
        iso_sp[ipHE_LIKE][ipOXYGEN].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipOXYGEN].nCollapsed_max = 5;
        iso_sp[ipHE_LIKE][ipNEON].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipNEON].nCollapsed_max = 5;
        iso_sp[ipHE_LIKE][ipSILICON].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipSILICON].nCollapsed_max = 5;
        iso_sp[ipHE_LIKE][ipMAGNESIUM].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipMAGNESIUM].nCollapsed_max = 5;
        iso_sp[ipHE_LIKE][ipSULPHUR].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipSULPHUR].nCollapsed_max = 5;
        iso_sp[ipHE_LIKE][ipIRON].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][ipIRON].nCollapsed_max = 5;
        /* also set this, for exercising any possible issues with highest charge models */
        iso_sp[ipHE_LIKE][LIMELM-1].n_HighestResolved_max = 5;
        iso_sp[ipHE_LIKE][LIMELM-1].nCollapsed_max = 5;

        /* He I is very special case - we want to do a good job, lots of levels */
        iso_sp[ipHE_LIKE][ipHELIUM].n_HighestResolved_max = 6;
        iso_sp[ipHE_LIKE][ipHELIUM].nCollapsed_max = 20;

        iso_ctrl.chISO[ipH_LIKE] = "H-like ";
        iso_ctrl.chISO[ipHE_LIKE] = "He-like";

        max_num_levels = 0;
        for( long ipISO = ipH_LIKE; ipISO < NISO; ipISO++ )
        {
                for( nelem=ipISO; nelem < LIMELM; nelem++ )
                {
                        /* set this to LONG_MAX, reduce to actual number later,
                         * then verify number of levels is not increased after initial coreload */
                        iso_sp[ipISO][nelem].numLevels_malloc = LONG_MAX;
                        iso_update_num_levels( ipISO, nelem );
                }
        }

        lgStatesAdded = false;
        lgLinesAdded = false;

        /* turn element on if this is first call to this routine,
        * but do not reset otherwise since would clobber how elements were set up */
        for( nelem=0; nelem < LIMELM; nelem++ )
        {
                /* never turn on element if turned off on first iteration */
                dense.lgElmtOn[nelem] = true;
                /* no elements yet explicitly turned off */
                dense.lgElmtSetOff[nelem] = false;

                /* option to set ionization with element ioniz cmnd,
                * default (false) is to solve for ionization */
                dense.lgSetIoniz[nelem] = false;
                
                // are we using Chianti for this ion?
                for( int ion=0; ion<=nelem+1; ++ion )
                {
                        dense.lgIonChiantiOn[nelem][ion] = false;
                        dense.lgIonStoutOn[nelem][ion] = false;
                        dense.maxWN[nelem][ion] = 0.;
                }
        }

        //set all sources to blank and false.
        //Sources will be added from masterlist files in species.cpp
        for( int nelem=ipHYDROGEN; nelem<LIMELM; ++nelem )
        {
                for( int ion=0; ion<nelem+2; ++ion )
                {
                        strcpy(atmdat.chdBaseSources[nelem][ion]," ");
                        atmdat.lgdBaseSourceExists[nelem][ion] = false;
                }
        }

        for( int nelem = 0; nelem < LIMELM; nelem++)
        {
                vector<long> row;
                for(int ion = 0; ion < nelem+1; ion++)
                {
                        row.push_back(-1);
                }
                atmdat.ipSpecIon.push_back(row);
        }

        /* smallest density to permit in any ion - if smaller then set to zero */
        dense.density_low_limit = SMALLFLOAT * 1e3;
        dense.density_low_limit = MAX2( dense.density_low_limit, 1e-50 );

        /* default cosmic ray background */
        /* >>chng 99 jun 24, slight change to value
        * quoted by 
        * >>refer       cosmic ray      ionization rate McKee, C.M., 1999, astro-ph 9901370
        * this will produce a total
        * secondary ionization rate of 2.5e-17 s^-1, as tested in 
        * test suite cosmicray.in.  If each ionization produces 2.4 eV of heat,
        * the background heating rate should be 9.6e-29 * n*/
        /* >>chng 04 jan 26, update cosmic ray ionization rate for H0 to
        * >>refer       cosmic ray      ionization      Williams, J.P., Bergin, E.A., Caselli, P., 
        * >>refercon    Myers, P.C., & Plume, R. 1998, ApJ, 503, 689,
        * H0 ionization rate of 2.5e-17 s-1 and a H2 ionization rate twice this
        * >>chng 04 mar 15, comment said 2.5e-17 which is correct, but code produce 8e-17,
        * fix back to correct value 
        */
        /* NB - the rate is derived from the density.  these two are related by the secondary
        * ionization efficiency problem.  background_rate is only here to provide the relationship
        * for predominantly neutral gas.  the background_density is the real rate. 
        hextra.background_density = 1.99e-9f;*/
        /* >>chng 05 apr 16, to get proper ionization rate in ism_set_cr_rate, where
        * H is forced to be fully atomic, no molecules, density from 1.99 to 2.15 */
        /* >>chng 02 apr 05, update to
         * >>refer      cosmic ray      ionization      Indriolo, N., Geballe, T., Oka, T., & McCall, B.J. 2007, ApJ, 671, 1736
         */
        hextra.background_density = 2.15e-9f*7.9f;
        hextra.background_rate = 2.5e-17f*7.9f;

        for( long i=0; i < LIMPAR; ++i )
                optimize.lgOptimizeAsLinear[i] = false;

        /* limit on ionization we check for zoning and prtcomment */
        struc.dr_ionfrac_limit = 1e-3f;

        SaveFilesInit();

        diatoms_init();

        /* initialize cosmological information */
        cosmology.redshift_current = 0.f;
        cosmology.redshift_start = 0.f;
        cosmology.redshift_step = 0.f;
        cosmology.omega_baryon = 0.04592f;
        cosmology.omega_rad = 8.23e-5f;
        cosmology.omega_lambda = 0.7299177f;
        cosmology.omega_matter = 0.27f;
        cosmology.omega_k = 0.f;
        /* the Hubble parameter in 100 km/s/Mpc */
        cosmology.h = 0.71f;
        /* the Hubble parameter in km/s/Mpc */
        cosmology.H_0 = 100.f*cosmology.h;
        cosmology.lgDo = false;

        // the code is ok at startup; only init here so that code remains broken
        // in a grid if any single model announces broken
        broke.lgBroke = false;
        broke.lgFixit = false;
        broke.lgCheckit = false;
        broke.lgPrintFixits = false;

        return;
}