//###
//*****************************************************************************
//                                                                            *
//     Include Name: arrays                                                   *
//                                                                            *
//     File Name: arrays.h                                                    *
//                                                                            *
//     Purpose:  Contains array sizes for include files and local arrays      *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: February 13, 2004                                                *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   02/13/04      0             Initial Release                *
//    R.L. Reese   04/06/06      A             Increased size of adata,       *
//                                             atom, len_file and len_reread  *
//                                             Added integration values       *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #define "arrays.h"                                                        *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     general                                                                *
//     adata_len      - Integer variable used as length of adata array        *
//     b_size         - Integer variable used as size of b array              *
//     blank_length   - Integer variable used as length of blank array        *
//     blank_size     - Integer value of size of blank array                  *
//     coefx_size     - Integer value of size of coefx array                  *
//     date_char      - Integer variable used number of chars in a date       *
//     ibuf_blanks    - Integer value of number of blanks to set in ibuf      *
//     idata_size     - Integer value of size of idata array in react_read    *
//     lank_size      - Integer value of size of lank array in react_read     *
//     lmt_size       - Integer variable used as size of lmt array            *
//     max_atoms      - Integer containing maximum number of atoms            *
//     num_buf_size   - Integer value of size of num_buf array in react_read  *
//     real_buf_len   - Integer variable used as size of real_buf             *
//     stop_or_go_len - Integer value of length of stop_or_go character array *
//     thermodat_len  - Integer value of length of text "THERMODAT"           *
//     double.h                                                               *
//     matrix_columns - Integer value of number of matrix columns             *
//     matrix_rows    - Integer value of number of matrix rows                *
//     misc.h and species.h                                                   *
//     element_max    - Integer value of maximum number of elements allowed   *
//     len_file       - Integer value of length of file names                 *
//     len_reread     - Integer value of length of re-read buffer for         *
//                      read_error                                            *
//     reacts_max     - Integer value of maximum mole values per record       *
//     size_char      - Integer value used as len of char to replace default  *
//                      length of 4 characters in one word for FORTRAN 4 and  *
//                      FORTRAN 77 conversion                                 *
//     species_max    - Integer value of maximum number of species allowed    *
//     points.h and speces.h                                                  *
//     npt_out        - Integer value of total points output on a page        *
//     t_p_size       - Integer value of total number of pressures and        *
//                      temperatures allowed                                  *
//     react.cpp                                                              *
//     atom_temp_len  - Integer value of length of atom_temp array            *
//     rdata_len      - Integer value of length of rdata_array                *
//     speces.h                                                               *
//     b_values_number- Integer value of number of integration sets per       *
//                      species                                               *
//     b_values_sets  - Integer value of number of integration sets           *
//     coeff_sets     - Integer value of number of sets in coefficient values *
//     coeff_values   - Integer value of number of coefficient values in a set*
//     sub_size       - Integer value of middle size of sub array             *
//     temp_max       - Integer value of column dimension of temp array       *
//     total_char     - Integer value of total characters in species name     *
//                                                                            *
//     Prototypes:                                                            *
//     -----------                                                            *
//                                                                            *
//     None                                                                   *
//                                                                            *
//*****************************************************************************
//###
 
// general
 
  const int adata_len      = 1024;
  const int b_size         = 10 ;
  const int blank_length   = 15;
  const int blank_size     = 1024;
  const int coefx_size     = 20 ;
  const int date_char      = 6;
  const int ibuf_blanks    = 21;
  const int idata_size     = 1024;
  const int lank_size      = 16;
  const int lmt_size       = 15 ;
  const int mt_size        = 10 ;
  const int max_atoms      = 102 ;
  const int num_buf_size   = 21;
  const int real_buf_len   = 16;
  const int stop_or_go_len = 1024;
  const int thermodat_len  = 9;
 
// double.h
 
  const int matrix_columns = 21;
  const int matrix_rows    = 20;
 
// misc.h
 
  const int element_max    = 15;
  const int len_file       = 1024;
  const int len_reread     = 1024;
  const int reacts_max     = 5;
  const int size_char      = 4;
  const int species_max    = 100;
 
// points.h
 
  const int npt_out        = 6;
  const int t_p_size       = 45;
 
// react.cpp
 
  const int atom_temp_len  = 2;
  const int rdata_len      = 81;
 
// speces.h
 
  const int b_values_number = 2;
  const int b_values_sets   = 2;
  const int coeff_sets      = 2;
  const int coeff_values    = 7;
  const int sub_size        = 8;
  const int temp_max        = 2;
  const int total_char      = 32;
 
// end arrays.h
//###
//*****************************************************************************
//                                                                            *
//     Include Name : atoms                                                   *
//                                                                            *
//     File Name:  atoms.h                                                    *
//                                                                            *
//     Purpose:  Contains atomic symbols and weights for function react       *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: January 28, 2004                                                 *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   01/28/04      0             Initial Release                *
//    R.L. Reese   04/13/06      A             Added "E" to atom table        *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "atoms.h"                                                        *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Pointers                                                               *
//     -----------------                                                      *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     local                                                                  *
//     atom            - Real array containing atomic weight of the elements  *
//     iatom           - Character*2 array containing atomic symbol of        *
//                       elements                                             *
//     arrays.h                                                               *
//     max_atoms       - Integer containing maximum number of atoms           *
//                                                                            *
//*****************************************************************************
//###
 
//    atomic symbols.
 
  const char iatom[][max_atoms] =
      {"H ", "HE", "LI", "BE", "B ", "C ", "N ", "O ", "F ", "NE", "NA",
       "MG", "AL", "SI", "P ", "S ", "CL", "AR", "K ", "CA", "SC", "TI",
       "V ", "CR", "MN", "FE", "CO", "NI", "CU", "ZN", "GA", "GE", "AS",
       "SE", "BR", "KR", "RB", "SR", "Y ", "ZR", "NB", "MO", "TC", "RU",
       "RH", "PD", "AG", "CD", "IN", "SN", "SB", "TE", "I ", "XE", "CS",
       "BA", "LA", "CE", "PR", "ND", "PM", "SM", "EU", "GD", "TB", "DY",
       "HO", "ER", "TM", "YB", "LU", "HF", "TA", "W ", "RE", "OS", "IR",
       "PT", "AU", "HG", "TL", "PB", "BI", "PO", "AT", "RN", "FR", "RA",
       "AC", "TH", "PA", "U ", "NP", "PU", "AM", "CM", "BK", "CF", "ES",
       "FM", "D ", "E "};
 
//    atomic weights.
 
  const float atom[max_atoms] =
       {1.00797,  4.0026,   6.939,  9.0122,  10.811, 12.01115, 14.0067,
        15.9994, 18.9984,  20.183, 22.9898,  24.312,  26.9815,  28.086,
        30.9738,  32.064,  35.453,  39.948,  39.102,  40.0800,  44.956,
        47.90  ,  50.942,  51.996,  54.938,  55.847,  58.9332,  58.710,
        63.54  ,  65.370,  69.720,  72.590, 74.9216,  78.96  ,  79.909,
        83.80  ,  85.470,  87.620,  88.905,  91.220,  92.906 ,  95.940,
        99.00  , 101.070, 102.905, 106.400, 107.870, 112.400 , 114.820,
       118.69  , 121.750, 127.600,126.9044, 131.300, 132.905 , 137.340,
       138.910 , 140.120, 140.907, 144.240, 145.000, 150.350 , 151.960,
       157.250 , 158.924, 162.500, 164.930, 167.260, 168.934 , 173.040,
       174.997 , 178.490, 180.948, 183.850, 186.200, 190.200 , 192.200,
       195.090 , 196.967, 200.590, 204.370, 207.190, 208.980 , 210.000,
       210.000 , 222.000, 223.000, 226.000, 227.000, 232.038 , 231.000,
       238.030 , 237.000, 242.000, 243.000, 247.000, 249.000 , 251.000,
       254.000 , 253.000, 2.014102,.000548579903} ;
 
// end file atoms.h
//###
//*****************************************************************************
//                                                                            *
//     Include Name : constant                                                *
//                                                                            *
//     File Name:  constant.h                                                 *
//                                                                            *
//     Purpose:  Contains constants and sizes for different routines.         *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: November 26, 2003                                                *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   11/26/03      0             Initial Release                *
//    R.L. Reese   04/12/06      A             Added newt_position value for  *
//                                             default positon of new_thermo  *
//                                             Corrected error in Yes_Flag    *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "constant.h"                                                     *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Pointers                                                               *
//     -----------------                                                      *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     general                                                                *
//     ablank          - Character*1 containing a blank                       *
//     code_length     - Integer value of length of code words in input data  *
//     iblank          - Character*1 containing a blank                       *
//     itn             - Integer value of intital iteration count             *
//     not_flag        - Character containing flag off character (default)    *
//     nreac_test      - Integer value of number of reactants for ternary     *
//                       system                                               *
//     num_radix       - Integer radix value used in converting integers      *
//     r               - Real value of universal gas constant                 *
//     string_end      - Character containing end of string control character *
//     t_p_default     - Real value of input temperature or pressure input    *
//     t_p_records     - Integer value of number of temp or press records     *
//     yes_flag        - Character containing "T" character                   *
//     check_input.cpp                                                        *
//     flag_position   - Integer variable used as position of tem and gas     *
//                       input flags default                                  *
//     kase_default    - Integer variable used as default value for kase      *
//     kase_inc        - Integer value of increment to use for kase position  *
//     kase_loop       - Integer value of loop index to get kase value        *
//     kase_moves      - Integer value of maximum number of moves for kase    *
//     kase_position   - Integer variable used as position of kase default    *
//     kase_test       - Integer value to test for default of kase value      *
//     newt_position   - Integer variable used as position of new_thermo      *
//                       input flag default                                   *
//     rsize_inc       - Integer value of increment to use for rsize position *
//     rsize_loop      - Integer value of loop index to get rsize value       *
//     rsize_moves     - Integer value of maximum number of moves for rsize   *
//     rsize_position  - Integer value used as position of rsize default      *
//     rsize_test      - Integer value to test for default of rsize value     *
//     tri_inc         - Integer value of increment to use for rsize position *
//     tri_loop        - Integer value of loop index to get rsize value       *
//     tri_moves       - Integer value of maximum number of moves for rsize   *
//     tri_position    - Integer value used as position of rsize default      *
//     tri_test        - Integer value to test for default of rsize value     *
//     check_insert.cpp and check_omit.cpp                                    *
//     first_name      - Integer value of number of characters in name        *
//     first_start     - Integer value of start of first name                 *
//     max_names       - Integer value of maximum number of names in one      *
//                       record                                               *
//     second_check    - Integer value for check if second name present       *
//     second_name     - Integer value for start of second name               *
//     check_systems.cpp                                                      *
//     third_add_indx  - Integer value of index to third add value in ternary *
//                       system                                               *
//     coeff_read.cpp                                                         *
//     coeff_length    - Integer value of length of each coefficient value    *
//     coeff_num_set   - Integer value of number of coefficients per temp set *
//     coeff_records   - Integer value of number of records per species       *
//     full_record     - Integer value of lengh of record with 5 values       *
//     num_coeff_full  - Integer value of number of values in full record     *
//     num_coeff_part  - Integer value of number of values in partial record  *
//     partial_index   - Integer value of index to partial record             *
//     partial_record  - Integer value of length of record with 4 values      *
//     second_index    - Integer value of index to second set of values       *
//     third_index     - Integer value of index to third set of values        *
//     cphs.cpp                                                               *
//     coeff_break_pt  - Real value of break point temp between high and low  *
//                       coefficients                                         *
//     high_coeff      - Integer index to set of high coefficients            *
//     low_coeff       - Integer index to set of low coefficients             *
//     phase_range     - Integer value to use for plus/minus search of        *
//                       condensed species being used                         *
//     eqlbrm.cpp                                                             *
//     asize_value     - Real value used for test of greatest delta G         *
//     eqlbrm_blank    - Character*1 containing blank character               *
//     last_temp       - Integer value index to temperature to check for      *
//                       current temperature range                            *
//     ncond_test      - Integer value to use for singularity test            *
//     nocon2_test     - Integer value to use for second singularity test     *
//     size_1_value    - Real initial value used for control size of output   *
//                       values of gaseous species                            *
//     smalno          - Real value used to reassign value of 1 x 10-6 to     *
//                       gaseous specie mole fraction the first time a        *
//                       singular matrix occurs                               *
//     smnol           - Real value used to reassign value of -13.815511 to   *
//                       gaseous specie log nj value the first time a singular*
//                       matrix occurs if the mole fraction is not equal to 0 *
//     sum_all         - Real variable used for storing summations            *
//     fcoeff.cpp                                                             *
//     names           - Character array containing element names of gases    *
//     names_inc       - Integer value of increment for names array chars     *
//     names_size      - Integer value of size of names array                 *
//     fpcalc.cpp                                                             *
//     po_test         - Real value of used to initialize po                  *
//     gauss.cpp                                                              *
//     bigno           - Real value that stores value of 1 x 1038 to be used  *
//                       for locating the maximum coefficient in each row of  *
//                       the matrix                                           *
//     get_estimates.cpp                                                      *
//     e               - Real value used as base of natural system of         *
//                       logarithims                                          *
//     deln_test       - Double precision value to use in testing deln        *
//     sum_all_compare - Real value used to compare sum_all variable          *
//     sum_all_test    - Real value used to test sum_all variable             *
//     sum1_value      - Real value default for sum1                          *
//     get_value.cpp                                                          *
//     add_end          - Integer value of end of add value field             *
//     add_index        - Integer value of add index in loop                  *
//     add_offset       - Integer value of offset of add value                *
//     base_end         - Integer value of end of base valu field             *
//     base_offset      - Integer value of offset of base value               *
//     field_length     - Integer value of field length of three values       *
//     num_values       - Integer value of number of values to get            *
//     top_end          - Integer value of end of top value field             *
//     top_offset       - Integer value of offset of top value                *
//     values_moved     - Integer value of number of values to move           *
//     increment_add.cpp                                                      *
//     add_factor      - Integer value to multiply add by for comparison      *
//     increment_only.cpp                                                     *
//     zerot_value     - Integer value to use for rtest test                  *
//     init.cpp                                                               *
//     ennl_initial    - Real value of initial value of ennl                  *
//     enn_initial     - Real value of initial value of enn                   *
//     intread.cpp                                                            *
//     f1001           - Char pointer to empty file error message             *
//     f1002           - Char pointer to warning message                      *
//     nbytes_default  - Integer value of nbytes default size                 *
//     itnumb_get.cpp                                                         *
//     ak1             - Double precision array to use in calculation for     *
//                       data in Janaf tables                                 *
//     ak2             - Double precision array to use in calculation for     *
//                       data in Janaf tables                                 *
//     ak4             - Double precision array to use in calculation for     *
//                       data in Janaf tables                                 *
//     co_name         - Character containing "CO"                            *
//     co2_name        - Character containing "CO2"                           *
//     fco_min         - Real value of default for fco and fco2               *
//     fco_multiply    - Real value multiplier for fco and fco2 fugacity      *
//                       calculation                                          *
//     fh2_min         - Real value of default for fh2                        *
//     fh2_multiply    - Real value multiplier for fh2 fugacity calculation   *
//     h2_name         - Character containing "H2"                            *
//     h2o_name        - Character containing "H2O"                           *
//     num_logs        - Integer value for number of logs to use in           *
//                       calculations from data in Janaf Tables               *
//     o2_name         - Character containing "O2"                            *
//     oxfug_value     - Real value multiplier for O2 fugacity calculation    *
//     ten_compare     - Real value used in comparison of temp value for      *
//                       fugacity calculation                                 *
//     linelen.cpp                                                            *
//     exclamation    - Character containing exclamation symbol which is last *
//                      valid alpha character in ASCII table                  *
//     line_decrement - Integer value used to adjust length returned from     *
//                      strnlen for end of line characters                    *
//     max_line_len   - Integer value of maximum characters in an input       *
//                      record                                                *
//     loop_read.cpp                                                          *
//     insert          - Character*4 containing code word indicating a        *
//     istop           - Character*4 containing code word indicating end      *
//     mit             - Character*4 containing code word indicating omit     *
//     name_list       - Character*4 containing code word indicating name     *
//     reac            - Character*4 containing code to indicate Reactant     *
//     molewt.cpp                                                             *
//     newmol_test     - Integer value to use for test to determine if new    *
//                       search is to be bypassed                             *
//     switch_index    - Integer value to use for index in switching values   *
//     third_add       - Integer value to use for third index of add array    *
//     third_base      - Integer value to use for third index of base array   *
//     third_top       - Integer value to use for third index of top array    *
//     omit_insert.cpp                                                        *
//     jj_bug_fix      - Integer value of fix for bug in temporary storage    *
//                       counter                                              *
//     kount_reset     - Integer value used to reset kount variable           *
//     out1.cpp and out1_moles.cpp                                            *
//     ib              - Character*2 contining blanks                         *
//     jt_value        - Integer value of maximum size of output line values  *
//     oxfug_val       - Real value of maximum size of oxygen fugacity        *
//     qfi_factor_1    - Real value of first value in calculating qfi         *
//     qfi_factor_2    - Real value of second value in calculating qfi        *
//     qfi_factor_3    - Real value of third value in calculating qfi         *
//     trace_limit     - Real value of limit of trace                         *
//     v_limit         - Real value of size of v value                        *
//     process_pressure.cpp                                                   *
//     blank_index     - Integer value pointing to start of blanked field     *
//     count_decrement - Integer value to subtract from nbytes_count for      *
//                       pressure default test                                *
//     decrement_count - Integer value to subtract from nbytes_count for      *
//                       temperature default test                             *
//     field_width     - Integer value of output field width for pressures    *
//     initial_nbytes  - Integer value to ending position of first input      *
//                       pressure                                             *
//     kelvin          - Integer value of Kelvin conversion factor            *
//     max_out_values  - Integer value to number of output values per line    *
//     max_t_p         - Integer value of maximum number of values allowed    *
//     max_temp        - Real value of maximum temperature allowed            *
//     round_up        - Real value of value used to round up for below zero  *
//                       Kelvin test                                          *
//     values_record   - Integer value of maximum values per input record     *
//     read_coeff.cpp                                                         *
//     date_start      - Integer value of start of date field in input record *
//     default_volume  - Integer value for test to default volume             *
//     ibuf_end        - Integer value of end of mole value field in ibuf     *
//     iend            - Character*4 containing 'ENDD'                        *
//     max_vol_size    - Integer value to test for position of volume value   *
//     mole_inc        - Integer value to increment kount for mole value      *
//     mole_length     - Integer value of number of digits in mole value      *
//     mole_name_set   - Integer value of number of sets of moles and names   *
//     name_adjust     - Integer value for adjusting length of name record    *
//     no_volume       - Integer value for test for no volume value present   *
//     phaz_start      - Integer value of start of phase field in input record*
//     set_increment   - Integer value of increment for mole and name set     *
//     short_mole      - Integer value to test for length of mole record      *
//     short_name      - Integer value to test for length of name record      *
//     temp_length     - Integer value of length of temperatures fields       *
//     vol_ibuf_end    - Integer value of length of volume field              *
//     volume_offset   - Integer value of start of volume field in input file *
//     read_react.cpp                                                         *
//     length_field    - Integer value of length of element and mole fields   *
//     max_length      - Integer value of length of reactant records          *
//     mole_pairs      - Integer value of number of element and mole pairs    *
//     mole_moves      - Integer value of number of moves for mole value      *
//     name_count_inc  - Integer value of element name increment              *
//     redkw.cpp                                                              *
//     th               - Real value  = 0.333333D0                            *
//     remove_and_add.cpp                                                     *
//     ll_test          - Integer value to use for test to determine which    *
//     new_test         - Integer value to use for test to determine if one   *
//                        reactant is to be added or removed                  *
//     second_add       - Integer value to use for second index of add array  *
//     rkcalc.cpp                                                             *
//     aaa              - Real array containing REDLICH-KWONG A values        *
//                        (divided by one million                             *
//     bbb              - Real array containing REDLICH-KWONG B values        *
//     rr               - Real value of gas constant in CC BAR/DEG Mole       *
//     saxena.cpp                                                             *
//     pccc             - Real array containing critical pressures for certain*
//                        gases                                               *
//     poo              - Real value = 4000.0 bars                            *
//     tccc             - Real array containing critical temperatures for     *
//                        certain gases                                       *
//     search.cpp                                                             *
//     elem_size        - Integer value of number of characters in element    *
//                        name                                                *
//     gas              - Character*2 containing 'G'                          *
//     ms_increment     - Integer variable used as do loop increment for      *
//                        finding species in record                           *
//     ns_increment     - Integer variable used as do loop increment for      *
//                        outputting species names used in current problem    *
//     second_temp      - Integer variable used as index to second temp on    *
//                        coefficient record                                  *
//     test_condensed.cpp                                                     *
//     num_int_max      - Integer value for maximum of num_int allowed        *
//     num_moles        - Integer value of number of moles to use to          *
//                        to determine if species is to be removed            *
//     thermp.cpp                                                             *
//     newmol_reset     - Integer value to reset newmol to for next run       *
//     thermp_sub.cpp                                                         *
//     noconv_test      - Integer value of maximum number of no convergence   *
//                        results                                             *
//     npt_test         - Integer value of maximum number of npt's for output *
//     zero_test_1      - Real value for first test for variance in testing   *
//                        for zero                                            *
//     zero_test_2      - Real value for second test for variance in testing  *
//                        for zero                                            *
//     zero_test_3      - Real value for third test for variance in testing   *
//                        for zero                                            *
//                                                                            *
//*****************************************************************************
//###
 
// General constants
 
  const char   ablank[]        = " ";
  const int    code_length     = 4;
  const char   iblank          = ' ';
  const int    itn             = 35 ;
  const char   not_flag        = 'F';
  const int    nreac_test      = 3;
  const int    num_radix       = 10;
  const float  r               = 8314.3/4184. ;
  const char   string_end      = '\0';
  const float  t_p_default     = -32767.0;
  const int    t_p_records     = 5;
  const char   yes_flag        = 'T';
 
// Constants for check_input
 
  const int    flag_position   = 3;
  const int    kase_default    = 1;
  const int    kase_inc        = 2;
  const int    kase_loop       = 4;
  const int    kase_moves      = 5;
  const int    kase_position   = 4;
  const int    kase_test       = 7;
  const int    newt_position   = 30;
  const int    rsize_inc       = 7;
  const int    rsize_loop      = 10;
  const int    rsize_moves     = 11;
  const int    rsize_position  = 9;
  const int    rsize_test      = 18;
  const int    tri_inc         = 18;
  const int    tri_loop        = 8;
  const int    tri_moves       = 9;
  const int    tri_position    = 20;
  const int    tri_test        = 27;
 
// Constants for check_insert and check_omit and omit_insert
 
  const int    first_name      = 8;
  const int    first_start     = 31;
  const int    max_names       = 2;
  const int    second_check    = 45;
  const int    second_name     = 46;
 
// Constants for check_systems
 
  const int    third_add_indx  = 2;
 
// Constants for coeff_read and coeff_read_new
 
  const int    coeff_length    = 15;
  const int    coeff_num_set   = 7;
  const int    coeff_records   = 3;
  const int    full_record     = 76;
  const int    integration_test= 2;
  const int    num_coeff_full  = 5;
  const int    num_coeff_part  = 4;
  const int    partial_index   = 2;
  const int    partial_record  = 61;
  const int    second_index    = 5;
  const int    third_index     = 3;
 
// Constant for cphs
 
  const float  coeff_break_pt  = 1000.0;
  const int    high_coeff      = 0;
  const int    low_coeff       = 1;
  const int    phase_range     = 10;
 
// Constants for eqlbrm
 
  const float  asize_value     = -1.E+36 ;
  const char   eqlbrm_blank[]  = " " ;
  const int    last_temp       = 2 ;
  const int    ncond_test      = 2 ;
  const int    nocon2_test     = 2 ;
  const float  size_1_value    = 18.420681 ;
  const float  smalno          = 1.E-6 ;
  const float  smnol           = -13.815511 ;
  double       sum_all ;
 
// Constants for fcoeff
 
  const int    names_size      = 104;
  const int    names_inc       = 4;
  const char   names[][names_size] =
  {"A","R"," "," ", "H","2"," "," ", "N","2"," "," ", "O","2"," "," ",
   "F","2"," "," ", "C","L","2"," ", "N","H","3"," ", "N","2","H","4",
   "H","C","N"," ", "C","O"," "," ", "C","O","2"," ", "N","2","O"," ",
   "N","O"," "," ", "N","2","O","4", "S","O","2"," ", "H","2","S"," ",
   "H","F"," "," ", "S","I","F","4", "H","C","L"," ", "C","H","4"," ",
   "H","2","O"," ", "C","H","C","L", "C","H","2","C", "C","H","3","C",
   "C","C","L","4", "C","O","C","L"};
 
// Constant for fpcalc
 
  const float  po_test         = 4000.0 ;
 
// Constants for gauss
 
  const double bigno           = 1.E+38 ;
 
// Constants for get_estimates
 
  const double deln_test       = 0.9e-99;
  const float  e               = 2.7182818;
  const float  sum_all_compare = 0.5E-5;
  const float  sum_all_test    = 2.0 ;
  const float  sum1_value      = -9.212 ;
 
// Constants for get_value
 
  const int    add_end         = 72;
  const int    add_index       = 2;
  const int    add_offset      = 63;
  const int    base_end        = 54;
  const int    base_offset     = 47;
  const int    field_length    = 10;
  const int    num_values      = 3;
  const int    top_end         = 64;
  const int    top_offset      = 56;
  const int    values_moved    = 9;
 
// Constant for increment_add
 
  const float  add_factor      = 0.5 ;
 
// Constant for increment_only
 
  const float  zerot_value     = 1.0E-4 ;
 
// Constants for init
 
  const float  enn_initial     = .1 ;
  const float  ennl_initial    = -2.3025851 ;
 
// Constants for init_read
 
  const char   *f1001          = " ERROR! -- File is empty.\n";
  const char   *f1002          = " Make sure there is a line feed at end of STOP.\n";
  const int    nbytes_default  = 80;
 
//  Constants for itnumb_get
 
// ***
//       COEFFICIENTS FOR EQUILIBRIUM CONSTANTS FROM DATA IN JANAF TABLES
//       k1: C+O2 = CO2; k2:C+.5O2 = CO;k4: H2+.5O2 = H2O
//       EQUATION FORM IS LOG10(K) = A1+A2*T+A3*T**2 ... AND FIT FROM
//       500-2300K
// ***
//
 
  const double ak1[8] =
     {.114463e3,-.243442e2,.248074e1,-.114863e0,.584013e-3,
      .154925e-3,-.555708e-5,.592449e-7} ;
  const double ak2[8] =
      {.36845e2,-.689197e1,.711475e0,-.337899e-1,.223693e-3,
      .4365e-4,-.162723e-5,.178614e-7} ;
  const double ak4[8] =
      {.687667e2,-.153556e2,.158928e1,-.759149e-1,.535197e-3,
      .96958e-4,-.366479e-5,.407351e-7} ;
 
  const char   co_name[]       = "CO";
  const char   co2_name[]      = "CO2";
  const float  fco_min         = 1.E-20 ;
  const float  fco_multiply    = 2.0 ;
  const float  fh2_min         = 1.E-20 ;
  const float  fh2_multiply    = 2.0 ;
  const char   h2_name[]       = "H2";
  const char   h2o_name[]      = "H2O";
  const int    num_logs        = 8 ;
  const char   o2_name[]       = "O2";
  const float  oxfug_value     = 0.434294 ;
  const float  ten_compare     = 5.E-6 ;
 
// Constants for linelen
 
  const char   exclamation     = '!';
  const int    line_decrement  = 2;
  const int    max_line_len    = 80;
 
// Constants for loop_read
 
  const char   insert[]        = "INSE" ;
  const char   istop[]         = "STOP" ;
  const char   mit[]           = "OMIT" ;
  const char   name_list[]     = "NAME" ;
  const char   reac[]          = "REAC" ;
 
// Constants for molewt
 
  const int    newmol_test     = 2 ;
  const int    switch_index    = 1 ;
  const int    third_add       = 2 ;
  const int    third_base      = 2 ;
  const int    third_top       = 2 ;
 
// Constants for omit_insert
 
  const int    jj_bug_fix      = 14;
  const int    kount_reset     = 4;
 
// Constants for out1 and out1_moles
 
  const char   ib              = ' ' ;
  const int    jt_value        = 6 ;
  const float  oxfug_val       = 10000.0 ;
  const float  qfi_factor_1    = 7.51 ;
  const float  qfi_factor_2    = 29382.0 ;
  const float  qfi_factor_3    = 0.050 ;
  const double trace_limit     = 9.e-7 ;
  const double v_limit         = 1.e-100 ;
 
// Constant for process_pressure and temp_press
 
  const int    blank_index     = 4;
  const int    count_decrement = 3;
  const int    decrement_count = 4;
  const int    field_width     = 5;
  const int    initial_nbytes  = 6;
  const float  kelvin          = 273.15 ;
  const int    max_out_values  = 6;
  const int    max_t_p         = 45;
  const float  max_temp        = 5000.0;
  const float  round_up        = 0.0001;
  const int    values_record   = 9;
 
// Constant for read_coeff
 
  const int    date_start      = 38;
  const int    default_volume  = 52;
  const int    ibuf_end        = 10;
  const char   iend[]          = "ENDD" ;
  const int    max_vol_size    = 66;
  const int    mole_inc        = 2;
  const int    mole_length     = 3;
  const int    mole_name_set   = 10;
  const int    name_adjust     = 4;
  const int    no_volume       = 51;
  const int    phaz_start      = 47;
  const int    set_increment   = 5;
  const int    short_mole      = 66;
  const int    short_name      = 68;
  const int    temp_length     = 10;
  const int    vol_ibuf_end    = 15;
  const int    volume_offset   = 50;
 
// Constants for read_react
 
  const int    length_field    = 9;
  const int    max_length      = 73;
  const int    mole_pairs      = 5;
  const int    mole_moves      = 7;
  const int    name_count_inc  = 2;
 
// Constant for redkw
 
  const float  th              = 0.333333E0 ;
 
// Constants for remove_and_add
 
  const int    ll_test         = 2 ;
  const int    new_test        = 2 ;
  const int    second_add      = 1 ;
 
// Constants for rkcalc
 
//       THE FOLLOWING ARRAYS GIVE THE REDLICH-KWONG A AND B PARAMETERS
//       FROM HOLLOWAY 1987 IN BAR UNITS.
//       REDLICH-KWONG A AND B PARAMETERS, FROM HOLLOWAY 1987
//       THE A PARAMETER IS DIVIDED BY ONE MILLION
 
  const float aaa[26] =
//   AR    H2     N2     O2     F2    CL2    NH3   N2H4   HCN
  {16.9, 1.81, 15.6, 17.5, 58.3, 13.6, 86.8, 100., 244.,
//    C0   C02   N2O    NO    N2O2     S02   H2S   HF   SIF4
   17.2, 83., 68.7, 19.8, 112.6, 133.1, 89.,78., 85.6,
//    HCL  CH4  H2O  CH3CL   CH2CL2 CHCL3  CCL4   COCL2
   67.4, 32., 88.,156.0, 248.8,359.1,472.1,229.6};
 
  const float bbb[26] =
//    AR    H2     N2     O2     F2    CL2    NH3   N2H4   HCN
  {22.3,15.34, 26.8, 22.1, 33.7,  39., 25.9,  60., 61.,
//    C0   C02   N2O      NO    N2O2    S02    H2S   HF  SIF4
   27.4,29.7, 30.8,   20., 30.7,  34.7, 20.,12.8,50.1,
//    HCL    CH4   H2O    CH3CL CH2CL2 CHCL3  CCL4   COCL2
   28.12, 29.7, 14.6, 44.8, 60.4, 70.6, 87.8, 57.8};
 
//       GAS CONSTANT IN CC BAR/DEG MOLE
 
  const float  rr              = 82.05 ;
 
//  Constants for saxena
 
  const float  poo             = 4000.0;
 
//      Critical temperatures and pressures.
//
  const float tccc[26] =
//   AR    H2    N2     O2     F2    CL2   NH3    N2H4
 {150.8,43.6,126.2,154.58,144.3,417.,405.6,653.,
//    HCN   C0   C02   N2O     NO    N2O2    S02    H2S
  456.8,132.9,304.2,309.56,180., 431., 430.8,373.2,
// HF   SIF4   HCL   CH4    H2O    CH3CL  CH2CL2  CHCL3  CCL4   COCL2
  461.,259.,324.6,190.7,647.14,416.3, 510., 536.4,556.4, 455.};
 
  const float pccc[26] =
//   AR    H2    N2    O2    F2     CL2   NH3     N2H4
 {48.1,20.46,33.5,49.77,51.47, 76., 111.3, 145.,
//  HCN   C0     C02   N2O    NO     N2O2   S02     H2S   HF
  53.2, 34.95,73.9, 71.5,  64.,  100.,134.3, 78.8, 64.,
// SIF4   HCL     CH4   H2O  CH3CL   CH2CL2 CHCL3  CCL4   COCL2
  36.7,  82.,  46.4, 218.,65.92, 60.0, 54.0, 45.0, 56.0};
 
// Constant for search
 
  const int    elem_size       = 2;
  const char   gas             = 'G' ;
  const int    ms_increment    = 2 ;
  const int    ns_increment    = 2 ;
  const int    second_temp     = 2 ;
 
// Constants for test_condensed
 
  const int    num_int_max     = 15 ;
  const int    num_moles       = 10 ;
 
// Constant for thermp
 
  const int    newmol_reset    = 2 ;
 
// Constants for thermp_sub
 
  const int    noconv_test     = 2 ;
  const int    npt_test        = 6 ;
  const float  zero_test_1     = 1.0E-03 ;
  const float  zero_test_2     = 1.0E-06 ;
  const float  zero_test_3     = 1.0E-10 ;
 
// end constant.h
//###
//*****************************************************************************
//                                                                            *
//     Include Name: double                                                   *
//                                                                            *
//     File Name: double.h                                                    *
//                                                                            *
//     Purpose:  Contains double precision arrays for the matrix              *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: June 01, 1973                                                    *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   06/01/73      0             Initial Release                *
//    R.L. Reese   11/23/03      A             Converted to C++               *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "double.h"                                                       *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     g            - Double precision array of elements of the matrix        *
//     x            - Double precision array for answer region for matrix     *
//                    solution (Lagrangian Multiplier)                        *
//                                                                            *
//     Local Common Blocks:                                                   *
//     -------------------                                                    *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     arrays.h                                                               *
//     matrix_columns - Integer value of number of matrix columns             *
//     matrix_rows    - Integer value of number of matrix rows                *
//                                                                            *
//     Include Files:                                                         *
//     --------------                                                         *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Prototypes:                                                            *
//     -----------                                                            *
//                                                                            *
//     None                                                                   *
//                                                                            *
//*****************************************************************************
//###
 
  extern double g[matrix_rows][matrix_columns] ;
  extern double x[matrix_rows] ;
 
// end double.h
//###
//*****************************************************************************
//                                                                            *
//     Include Name: extern                                                   *
//                                                                            *
//     File Name: extern.h                                                    *
//                                                                            *
//     Purpose:  Contains all the include *.h files variables to be used      *
//               as externals in the appropiate functions. Only used in main  *
//               function therm                                               *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: January 07, 2004                                                 *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   01/07/04      0             Initial Release                *
//    R.L. Reese   04/12/06      A             Added new_thermo flag          *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "extern.h"                                                       *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     Descriptions can be found in the appropiate *.h files for each group   *
//                                                                            *
//     Local Common Blocks:                                                   *
//     -------------------                                                    *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Include Files:                                                         *
//     --------------                                                         *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Prototypes:                                                            *
//     -----------                                                            *
//                                                                            *
//     None                                                                   *
//                                                                            *
//*****************************************************************************
//###
 
// externals for double.h include file
 
double g[matrix_rows][matrix_columns] ;
double x[matrix_rows] ;
 
// externals for indx.h include file
int imat ;
int iq1 ;
int kase ;
int nc ;
int newmol ;
int nlm ;
int nmin ;
int nmix ;
int nomit ;
int np ;
int npt ;
int nrat ;
int nreac ;
int ns ;
int nsert ;
int nt ;
 
// variables used as logical flags
 
int alter ;
int plus ;
int systm ;
 
// externals for misc.h include file
 
float enn ;
float ennl ;
float pp ;
float sumn ;
float tm ;
float tri ;
float tt ;
 
float add[element_max] ;
float anum[element_max][reacts_max] ;
float base[element_max] ;
float bo[element_max] ;
float top[element_max] ;
float vol[species_max] ;
 
double gamma[species_max] ;
 
int   noconv ;
 
char  llmt[size_char][element_max] ;
char  name[size_char][element_max][reacts_max] ;
 
char  infile[len_file] ;
char  re_read[len_reread] ;
char  outfile[len_file] ;
 
// externals for points.h include file
 
float p[t_p_size] ;
float ppp[npt_out] ;
float t[t_p_size] ;
float totn[npt_out] ;
float ttt[npt_out] ;
 
float free_energy[npt_out] ;
float fo2c[npt_out] ;
float fo2h[npt_out] ;
float gtotn[npt_out] ;
float oxfug[npt_out] ;
float rsize ;
 
int newest ;
int gas_input ;
int new_thermo ;
int pressure_number;
int tem ;
int temp_number;
 
// externals for speces.h include file
 
float a[element_max][species_max] ;
float temp[species_max][temp_max] ;
 
double b_values[b_values_sets][b_values_number][species_max];
double coef[coeff_sets][coeff_values][species_max] ;
double en[species_max][npt_out] ;
double enln[species_max] ;
double ho[species_max] ;
double s[species_max] ;
 
int iuse[species_max] ;
int juse[species_max] ;
 
char ensert[total_char][species_max] ;
char omit[total_char][species_max] ;
char sub[size_char][sub_size][species_max] ;
 
// externals for function eqlbrm which previous values from function eqlbrm
// are used again in next entry to eqlbrm
 
float fco ;
float fco2 ;
float fh2 ;
float fh2o ;
 
// externals for function molewt which previous value from function molewt
// are used again in next entry to molewt
 
double aa[element_max] ;
 
float bb[element_max] ;
float to[element_max] ;
 
int   ll;
int   removed;
 
// end extern.h
//###
//*****************************************************************************
//                                                                            *
//     Include Name: indx                                                     *
//                                                                            *
//     File Name: indx.h                                                      *
//                                                                            *
//     Purpose:  Contains index constants and variables                       *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: June 01, 1972                                                    *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   06/01/73      0             Initial Release                *
//    R.L. Reese   11/23/03      A             Converted to C++               *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "indx.h"                                                         *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     alter        - Logical variable used to indicate reactant mole         *
//                    mole fractions with unequal top and base values         *
//                    are to be altered                                       *
//     imat         - Integer variable used as number of rows in matrix       *
//     iq1          - Integer variable used as number of elements plus the    *
//                    number of condensed species included in matrix          *
//                    equations plus one                                      *
//     kase         - Integer identification number for problem being         *
//                    considered                                              *
//     nc           - Integer value of number of condensed species being      *
//                    considered in the system                                *
//     newmol       - Integer variable used in react, search  and molewt.     *
//                    Reset and initialized in this routine                   *
//     nlm          - Integer value of number of elements in the system       *
//     nmin         - Integer value of number of elements that are put        *
//                    into temporary storage for systm and plus problems      *
//     nmix         - Integer variable used as increment multiplier for mole  *
//                    fraction computations in plus and systm problems        *
//     nomit        - Integer value of number of species to be omitted        *
//     np           - Integer variable used as number of P values input       *
//     npt          - Integer variable used as index for data saved for output*
//     nrat         - Integer variable used to determine if the reactants     *
//                    should be added or incremented in systm and plus        *
//                    problems                                                *
//     nreac        - Integer value containing number of reactant records     *
//     ns           - Integer variable of number of species being considered  *
//                    in the system                                           *
//     nsert        - Integer value of number of species listed on            *
//                    insert Records                                          *
//     nt           - Integer variable used as number of T values input       *
//     plus         - Logical variable used to indicate if reactants are to be*
//                    added to the system or if a ternary system is being     *
//                    considered                                              *
//     systm        - Logical variable used to denote that a ternary          *
//                    system is being considered                              *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Prototypes:                                                            *
//     -----------                                                            *
//                                                                            *
//     None                                                                   *
//                                                                            *
//*****************************************************************************
//###
 
  extern int imat ;
  extern int iq1 ;
  extern int kase ;
  extern int nc ;
  extern int newmol ;
  extern int nlm ;
  extern int nmin ;
  extern int nmix ;
  extern int nomit ;
  extern int np ;
  extern int npt ;
  extern int nrat ;
  extern int nreac ;
  extern int ns ;
  extern int nsert ;
  extern int nt ;
 
// logical variables
 
  extern int alter ;
  extern int plus ;
  extern int systm ;
 
// End of indx.h
//###
//*****************************************************************************
//                                                                            *
//     Include Name: misc                                                     *
//                                                                            *
//     File Name: misc.h                                                      *
//                                                                            *
//     Purpose:  Contains index constants and variables                       *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: June 01, 1973                                                    *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   06/01/73      0             Initial Release                *
//    R.L. Reese   11/23/03      A             Converted to C++               *
//    R.L. Reese   04/13/06      B             Added therm_file               *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "misc.h"                                                         *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     add             - Real array containing increment of ith reactant mole *
//                       fraction                                             *
//     anum            - Real value of stochiometric coefficients of elements *
//                       in the reactant records                              *
//     base            - Real value of first value of mole fraction of ith    *
//                       reactant                                             *
//     bo              - Real array used as assigned Kg-atoms of element i per*
//                       Kg of total reactant                                 *
//     enn             - Real value of n, moles of miture, KG-moles/KG        *
//     ennl            - Real value of log of enn                             *
//     gamma           - Real array of fugacity coeffiecients for gases       *
//     idata           - Character*4 array used to read code record names     *
//                       to determine what input data follows                 *
//     infile          - Character*80 variable for input file name            *
//     llmt            - Character*4 array containing alphameric symbols for  *
//                       the elements in the system being studied             *
//     message_offset  - Integer value for offset of message number to use    *
//     name            - Character*4 containing alphameric symbols for the    *
//                       elements as given in the reactant records            *
//     noconv          - Integer value that accumulates number of times there *
//                       is no solution to a T-P point                        *
//     outfile         - Character*80 variable for output file name           *
//     pp              - Real value of assigned P for current point           *
//     re_read         - Character*80 buffer used to read previous record     *
//     sumn            - Real value of moles of mixture sumation              *
//     thermfile       - Character*80 variable for thermo file name           *
//     tm              - Real value of log P divided by n                     *
//     top             - Real array containing final value of mole fraction of*
//                       ith reactant                                         *
//     tri             - Real variable containing increment value of mole     *
//                       fraction for all reactants of ternary system         *
//     tt              - Real value of assigned T for current point           *
//     vol             - Real value of molar volume of species                *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     arrays.h                                                               *
//     element_max    - Integer value of maximum number of elements allowed   *
//     len_file       - Integer value of length of file names                 *
//     len_reread     - Integer value of length of re-read buffer for         *
//                      read_error                                            *
//     reacts_max     - Integer value of maximum mole values per record       *
//     size_char      - Integer value used as len of char to replace default  *
//                      length of 4 characters in one word for FORTRAN 4 and  *
//                      FORTRAN 77 conversion                                 *
//     species_max    - Integer value of maximu number of species allowed     *
//                                                                            *
//     Include Files:                                                         *
//     -------------                                                          *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Prototypes:                                                            *
//     -----------                                                            *
//                                                                            *
//     None                                                                   *
//                                                                            *
//*****************************************************************************
//###
 
  extern float enn ;
  extern float ennl ;
  extern float pp ;
  extern float sumn ;
  extern float tm ;
  extern float tri ;
  extern float tt ;
 
  extern float add[element_max] ;
  extern float anum[element_max][reacts_max] ;
  extern float base[element_max] ;
  extern float bo[element_max] ;
  extern float top[element_max] ;
  extern float vol[species_max] ;
 
  extern double gamma[species_max] ;
 
  extern int noconv ;
 
  extern char llmt[4][element_max] ;
  extern char name[4][element_max][reacts_max] ;
 
  extern char infile[len_file] ;
  extern char re_read[len_reread] ;
  extern char outfile[len_file] ;
  extern char thermfile[len_file] ;
 
// end misc.h
 
 
 
//###
//*****************************************************************************
//                                                                            *
//     Include Name: points                                                   *
//                                                                            *
//     File Name: points.h                                                    *
//                                                                            *
//     Purpose:  Contains constants and variables for temperature and pressure*
//               use                                                          *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: November 23, 2003                                                *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   06/01/73      0             Initial Release                *
//    R.L. Reese   11/23/03      A             Converted to C++               *
//    R.L. Reese   04/12/06      B             Added new_thermo flag for      *
//                                             choosing type of thermo data   *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "points.h"                                                       *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     fo2c             - Real array of fugacity of O2C                       *
//     fo2h             - Real array of fugacity of O2H                       *
//     free_energy      - Real array of free energy                           *
//     gas_input        - Logical value of gas input flag                     *
//     gtotn            - Real array of total n for gases                     *
//     new              - Logical used to test for new addition to run        *
//     new_thermo       - Logical value of new type of thermodynamic file     *
//     oxfug            - Real value of oxygen fugacity                       *
//     p                - Real values of P in bars that have been input       *
//     ppp              - Real array of static P stored for output            *
//     pressure_number - Integer number of input pressure values              *
//     rsize            - Real value used to determine size of mole fraction  *
//                        values for gas specie to be output                  *
//     t                - Real values of T in Kelvin that have been input     *
//     tem              - Logical variable used to denote that for each       *
//                        assigned T there is an assigned P                   *
//     temp_number     - Integer number of input temperature values           *
//     totn             - Real array of summation of n used in calculation    *
//                        of mole fraction                                    *
//     ttt              - Real array of T stored for output                   *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     arrays.h                                                               *
//     npt_out        - Integer value of total points output on a page        *
//     t_p_size       - Integer value of total number of pressures and        *
//                      temperatures allowed                                  *
//                                                                            *
//     Prototypes:                                                            *
//     -----------                                                            *
//                                                                            *
//     None                                                                   *
//                                                                            *
//*****************************************************************************
//###
 
  extern float p[t_p_size] ;
  extern float ppp[npt_out] ;
  extern float t[t_p_size] ;
  extern float totn[npt_out] ;
  extern float ttt[npt_out] ;
 
  extern float free_energy[npt_out] ;
  extern float fo2c[npt_out] ;
  extern float fo2h[npt_out] ;
  extern float gtotn[npt_out] ;
  extern float oxfug[npt_out] ;
  extern float rsize ;
 
  extern int gas_input ;
  extern int new_thermo ;
  extern int newest ;
  extern int pressure_number;
  extern int tem ;
  extern int temp_number;
 
// end points.h
 
//###
//*****************************************************************************
//                                                                            *
//     Include Name: speces                                                   *
//                                                                            *
//     File Name: speces.h                                                    *
//                                                                            *
//     Purpose:  Contains species variables                                   *
//                                                                            *
//     Author:    Robert L. Reese                                             *
//                                                                            *
//     Date: June 06, 1973                                                    *
//                                                                            *
//     Language:  Borland C++ Compiler, Version 4.5                           *
//                                                                            *
//     Hardware: IBM Cosmpatible PC                                           *
//                                                                            *
//     Operating System: Microsoft Windows 98                                 *
//                                                                            *
//     Update History:                                                        *
//                                                                            *
//     Name        Date      Revision          Changes                        *
//     ----        ----      ---------         -------                        *
//                                                                            *
//    R.L. Reese   06/01/73      0             Initial Release                *
//    R.L. Reese   11/23/03      A             Converted to C++               *
//    R.L. Reese   04/13/06      B             Added integration values       *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//  Usage:                                                                    *
//                                                                            *
//  #include "speces.h"                                                       *
//                                                                            *
//----------------------------------------------------------------------------*
//                                                                            *
//     Definitions:                                                           *
//                                                                            *
//     Local Variables:                                                       *
//     ----------------                                                       *
//                                                                            *
//     None                                                                   *
//                                                                            *
//     Global Variables:                                                      *
//     -----------------                                                      *
//                                                                            *
//     a                - Real array of Stoichiometric coefficients of ith    *
//                        element in jth species                              *
//     coef             - Real value in empirical equations for thermodynamic *
//                        functions.  coef(i,j,k): i = 1 for upper T interval *
//                        and 2 for the lower one: j = 1,...7 for the 7       *
//                        coefficients, aj: k = 1,....100 for the number of   *
//                        species                                             *
//     en               - Real array of nj, Kg-moles of jth species/ Kg of    *
//                        mixture                                             *
//     enln             - Real array of ln nj = ln(en)                        *
//     ensert           - Character*4 array of ith specie of n species which  *
//                        are specified to be considered or input             *
//     ho               - Real array of hj, dimensionless enthalpy for        *
//                        species j                                           *
//     iuse             - Integer value used to identify status of ith specie *
//     juse             - Integer value used to identify which phase of a     *
//                        condensed specie should be used or if the specie    *
//                        fits the T range                                    *
//     omit             - Character*4 array containing names of specie to be  *
//                        omitted from current system                         *
//     s                - Real value of dimensionless entropy calculated from *
//                        coefficients for the reaction species               *
//     sub              - Character*4 array containing names of species read  *
//                        from thermodynamic data.                            *
//     temp             - Real array of T range of individual condensed       *
//                        specie                                              *
//     speces.h                                                               *
//                                                                            *
//     Constants:                                                             *
//     ---------                                                              *
//                                                                            *
//     arrays.h                                                               *
//     b_values_number- Integer value of number of integration sets per       *
//                      species                                               *
//     b_values_sets  - Integer value of number of integration sets           *
//     coeff_sets     - Integer value of number of sets in coefficient values *
//     coeff_values   - Integer value of number of coefficient values in a set*
//     element_max    - Integer value of maximum number of elements allowed   *
//     species_max    - Integer value of maximu number of species allowed     *
//     npt_out        - Integer value of total points output on a page        *
//     size_char      - Integer value used as len of char to replace default  *
//                      length of 4 characters in one word for FORTRAN 4 and  *
//                      FORTRAN 77 conversion                                 *
//     sub_size       - Integer value of middle size of sub array             *
//     temp_max       - Integer value of column dimension of temp array       *
//     total_char     - Integer value of total characters in species name     *
//                                                                            *
//     Prototypes:                                                            *
//     -----------                                                            *
//                                                                            *
//     None                                                                   *
//                                                                            *
//*****************************************************************************
//###
 
  extern float a[element_max][species_max] ;
  extern float temp[species_max][temp_max] ;
 
  extern double b_values[b_values_sets][b_values_number][species_max];
  extern double coef[coeff_sets][coeff_values][species_max] ;
  extern double en[species_max][npt_out] ;
  extern double enln[species_max] ;
  extern double ho[species_max] ;
  extern double s[species_max] ;
 
  extern int iuse[species_max] ;
  extern int juse[species_max] ;
 
  extern char ensert[total_char][species_max] ;
  extern char omit[total_char][species_max] ;
  extern char sub[size_char][sub_size][species_max] ;
 
// end speces.h