atmdat_outer_shell.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 */
/*atmdat_outer_shell determine outer shell, and statistical weights of that and higher ion, for any ion
 * written by Dima Verner */
#include "cddefines.h"
#include "atmdat.h"

void atmdat_outer_shell(long int iz, /* atomic number from 1 to 30 */
  long int in, /* number of electrons from 1 to iz */
  long int *imax, /* number of the outer shell */
  long int *ig0, /* statistical weight of (iz,in) ground state */
  long int *ig1) /* statistical weight of (iz,in-1) ground state */
{
        long int kg;

        static long iss[30]={1,1,2,2,3,3,3,3,3,3,4,4,5,5,5,5,5,5,6,6,6,
          6,6,6,6,6,6,6,7,7};

        static long igl[30]={2,1,2,1,2,1,4,5,4,1,2,1,2,1,4,5,4,1,4,5,4,
          1,6,9,10,9,6,1,2,1};

        static long iga[12]={2,1,4,5,4,7,6,9,10,9,2,1};

        DEBUG_ENTRY( "atmdat_outer_shell()" );
        /*determine outer shell for some species */
        /******************************************************************************
         *** Input parameters:  iz - atomic number from 1 to 30 (integer) 
         ***          in - number of electrons from 1 to iz (integer)
         *** Output parameters: imax - number of the outer shell
         ***          ig0  - statistical weight of (iz,in) ground state
         ***          ig1  - statistical weight of (iz,in-1) ground state
         ****************************************************************************** */

        if( iz < 1 || iz > 30 )
        {
                fprintf( ioQQQ, " ***ERROR: wrong atomic number\n" );
                return;
        }

        if( in < 1 || in > iz )
        {
                fprintf( ioQQQ, " ***ERROR: wrong number of electrons\n" );
                return;
        }

        /*** Number of the outer shell and statistical weight */
        *imax = iss[in-1];
        *ig0 = igl[in-1];

        /* in is 1 or greater - as verified above */
        if( in == 1 )
        {
                *ig1 = 1;
        }

        else if( in > 1 )
        {
                *ig1 = igl[in-2];
        }

        else
        {
                /* this is total insanity, cannot happen*/
                fprintf( ioQQQ, " ***ERROR: in insaniy in atmdat_outer_shell\n" );
                return;
        }

        if( in > 18 && iz == in )
        {
                *imax = 7;
                kg = iz - 18;
                *ig0 = iga[kg-1];
                if( iz == 20 )
                        *ig1 = 2;
                if( iz == 21 )
                        *ig1 = 3;
                if( iz == 22 )
                        *ig1 = 4;
                if( iz == 25 )
                        *ig1 = 7;
                if( iz == 26 )
                        *ig1 = 10;
                if( iz == 30 )
                        *ig1 = 2;
        }

        if( in > 18 && (iz - in) == 1 )
        {
                if( iz == 20 )
                {
                        *imax = 7;
                        *ig0 = 2;
                }

                if( iz == 21 )
                {
                        *imax = 7;
                        *ig0 = 3;
                }

                if( iz == 22 )
                {
                        *imax = 7;
                        *ig0 = 4;
                }

                if( iz == 25 )
                {
                        *imax = 7;
                        *ig0 = 7;
                }

                if( iz == 26 )
                {
                        *imax = 7;
                        *ig0 = 10;
                }

                if( iz == 30 )
                {
                        *imax = 7;
                        *ig0 = 2;
                }

        }

        return;
}