LCOV - code coverage report
Current view: top level - chemistry/pp_waccm_mad_mam5 - mo_sim_dat.F90 (source / functions) Hit Total Coverage
Test: coverage.info Lines: 51 74 68.9 %
Date: 2025-03-14 01:26:08 Functions: 1 1 100.0 %

          Line data    Source code
       1             : 
       2             :       module mo_sim_dat
       3             : 
       4             :       private
       5             :       public :: set_sim_dat
       6             : 
       7             :       contains
       8             : 
       9         768 :       subroutine set_sim_dat
      10             : 
      11             :       use chem_mods,     only : clscnt, cls_rxt_cnt, clsmap, permute, adv_mass, fix_mass, crb_mass
      12             :       use chem_mods,     only : diag_map
      13             :       use chem_mods,     only : phtcnt, rxt_tag_cnt, rxt_tag_lst, rxt_tag_map
      14             :       use chem_mods,     only : pht_alias_lst, pht_alias_mult
      15             :       use chem_mods,     only : extfrc_lst, inv_lst, slvd_lst
      16             :       use chem_mods,     only : enthalpy_cnt, cph_enthalpy, cph_rid, num_rnts, rxntot
      17             :       use cam_abortutils,only : endrun
      18             :       use mo_tracname,   only : solsym
      19             :       use chem_mods,     only : frc_from_dataset
      20             :       use chem_mods,     only : is_scalar, is_vector
      21             :       use shr_kind_mod,  only : r8 => shr_kind_r8
      22             :       use cam_logfile,   only : iulog
      23             : 
      24             :       implicit none
      25             : 
      26             : !--------------------------------------------------------------
      27             : !      ... local variables
      28             : !--------------------------------------------------------------
      29             :       integer :: ios
      30             : 
      31         768 :       is_scalar = .false.
      32         768 :       is_vector = .true.
      33             : 
      34         768 :       clscnt(:) = (/      0,     0,     0,   139,     0 /)
      35             : 
      36        3840 :       cls_rxt_cnt(:,4) = (/      8,   142,   456,   139 /)
      37             : 
      38             :       solsym(:139) = (/ 'bc_a1           ','bc_a4           ','BR              ','BRCL            ','BRO             ', &
      39             :                         'BRONO2          ','BRY             ','CCL4            ','CF2CLBR         ','CF3BR           ', &
      40             :                         'CFC11           ','CFC113          ','CFC114          ','CFC115          ','CFC12           ', &
      41             :                         'CH2BR2          ','CH2O            ','CH3BR           ','CH3CCL3         ','CH3CL           ', &
      42             :                         'CH3O2           ','CH3OOH          ','CH4             ','CHBR3           ','CL              ', &
      43             :                         'CL2             ','CL2O2           ','CLO             ','CLONO2          ','CLY             ', &
      44             :                         'CO              ','CO2             ','COF2            ','COFCL           ','DMS             ', &
      45             :                         'dst_a1          ','dst_a2          ','dst_a3          ','F               ','H               ', &
      46             :                         'H2              ','H2402           ','H2O2            ','H2SO4           ','HBR             ', &
      47             :                         'HCFC141B        ','HCFC142B        ','HCFC22          ','HCL             ','HF              ', &
      48             :                         'HNO3            ','HO2NO2          ','HOBR            ','HOCL            ','HONO            ', &
      49             :                         'N               ','N2O             ','N2O5            ','ncl_a1          ','ncl_a2          ', &
      50             :                         'ncl_a3          ','NO              ','NO2             ','NO3             ','num_a1          ', &
      51             :                         'num_a2          ','num_a3          ','num_a4          ','num_a5          ','O               ', &
      52             :                         'O1D             ','O2              ','O3              ','OCLO            ','OCS             ', &
      53             :                         'pom_a1          ','pom_a4          ','S               ','SF6             ','SO              ', &
      54             :                         'SO2             ','SO3             ','so4_a1          ','so4_a2          ','so4_a3          ', &
      55             :                         'so4_a5          ','soa_a1          ','soa_a2          ','SOAG            ','CLm             ', &
      56             :                         'CLm_H2O         ','CLm_HCL         ','CLOm            ','CO3m            ','CO3m2H2O        ', &
      57             :                         'CO3m_H2O        ','CO4m            ','e               ','H3Op_OH         ','HCO3m           ', &
      58             :                         'HO2             ','Hp_2H2O         ','Hp_3H2O         ','Hp_3N1          ','Hp_4H2O         ', &
      59             :                         'Hp_4N1          ','Hp_5H2O         ','Hp_H2O          ','N2D             ','N2p             ', &
      60             :                         'NO2m            ','NO2m_H2O        ','NO3m            ','NO3m2H2O        ','NO3m_H2O        ', &
      61             :                         'NO3m_HCL        ','NO3mHNO3        ','NOp             ','NOp_2H2O        ','NOp_3H2O        ', &
      62             :                         'NOp_CO2         ','NOp_H2O         ','NOp_N2          ','Np              ','O2_1D           ', &
      63             :                         'O2_1S           ','O2m             ','O2p             ','O2p_H2O         ','O3m             ', &
      64             :                         'O4m             ','O4p             ','OH              ','OHm             ','Om              ', &
      65      107520 :                         'Op              ','Op2D            ','Op2P            ','H2O             ' /)
      66             : 
      67             :       adv_mass(:139) = (/    12.011000_r8,    12.011000_r8,    79.904000_r8,   115.356700_r8,    95.903400_r8, &
      68             :                             141.908940_r8,    99.716850_r8,   153.821800_r8,   165.364506_r8,   148.910210_r8, &
      69             :                             137.367503_r8,   187.375310_r8,   170.921013_r8,   154.466716_r8,   120.913206_r8, &
      70             :                             173.833800_r8,    30.025200_r8,    94.937200_r8,   133.402300_r8,    50.485900_r8, &
      71             :                              47.032000_r8,    48.039400_r8,    16.040600_r8,   252.730400_r8,    35.452700_r8, &
      72             :                              70.905400_r8,   102.904200_r8,    51.452100_r8,    97.457640_r8,   100.916850_r8, &
      73             :                              28.010400_r8,    44.009800_r8,    66.007206_r8,    82.461503_r8,    62.132400_r8, &
      74             :                             135.064039_r8,   135.064039_r8,   135.064039_r8,    18.998403_r8,     1.007400_r8, &
      75             :                               2.014800_r8,   259.823613_r8,    34.013600_r8,    98.078400_r8,    80.911400_r8, &
      76             :                             116.948003_r8,   100.493706_r8,    86.467906_r8,    36.460100_r8,    20.005803_r8, &
      77             :                              63.012340_r8,    79.011740_r8,    96.910800_r8,    52.459500_r8,    47.012940_r8, &
      78             :                              14.006740_r8,    44.012880_r8,   108.010480_r8,    58.442468_r8,    58.442468_r8, &
      79             :                              58.442468_r8,    30.006140_r8,    46.005540_r8,    62.004940_r8,     1.007400_r8, &
      80             :                               1.007400_r8,     1.007400_r8,     1.007400_r8,     1.007400_r8,    15.999400_r8, &
      81             :                              15.999400_r8,    31.998800_r8,    47.998200_r8,    67.451500_r8,    60.076400_r8, &
      82             :                              12.011000_r8,    12.011000_r8,    32.066000_r8,   146.056419_r8,    48.065400_r8, &
      83             :                              64.064800_r8,    80.064200_r8,   115.107340_r8,   115.107340_r8,   115.107340_r8, &
      84             :                             115.107340_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8,    35.452700_r8, &
      85             :                              53.466900_r8,    71.912800_r8,    51.452100_r8,    60.009200_r8,    96.037600_r8, &
      86             :                              78.023400_r8,    76.008600_r8, 0.548567E-03_r8,    36.028400_r8,    61.016600_r8, &
      87             :                              33.006200_r8,    37.035800_r8,    55.050000_r8,   118.062340_r8,    73.064200_r8, &
      88             :                             136.076540_r8,    91.078400_r8,    19.021600_r8,    14.006740_r8,    28.013480_r8, &
      89             :                              46.005540_r8,    64.019740_r8,    62.004940_r8,    98.033340_r8,    80.019140_r8, &
      90             :                              98.465040_r8,   125.017280_r8,    30.006140_r8,    66.034540_r8,    68.049340_r8, &
      91             :                              74.015940_r8,    48.020340_r8,    58.019620_r8,    14.006740_r8,    31.998800_r8, &
      92             :                              31.998800_r8,    31.998800_r8,    31.998800_r8,    50.013000_r8,    47.998200_r8, &
      93             :                              63.997600_r8,    63.997600_r8,    17.006800_r8,    17.006800_r8,    15.999400_r8, &
      94         768 :                              15.999400_r8,    15.999400_r8,    15.999400_r8,    18.014200_r8 /)
      95             : 
      96             :       crb_mass(:139) = (/    12.011000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
      97             :                               0.000000_r8,     0.000000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8, &
      98             :                              12.011000_r8,    24.022000_r8,    24.022000_r8,    24.022000_r8,    12.011000_r8, &
      99             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,    24.022000_r8,    12.011000_r8, &
     100             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8,     0.000000_r8, &
     101             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8, &
     102             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8,    24.022000_r8, &
     103             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     104             :                               0.000000_r8,    24.022000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     105             :                              24.022000_r8,    24.022000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8, &
     106             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     107             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     108             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     109             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     110             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8, &
     111             :                              12.011000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     112             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     113             :                               0.000000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8,     0.000000_r8, &
     114             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8,    12.011000_r8, &
     115             :                              12.011000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8, &
     116             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     117             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     118             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     119             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     120             :                              12.011000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     121             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     122             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     123         768 :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8 /)
     124             : 
     125         768 :       fix_mass(:  2) = (/ 0.00000000_r8, 28.0134800_r8 /)
     126             : 
     127             :       clsmap(:139,4) = (/    1,   2,   3,   4,   5,   6,   7,   8,   9,  10, &
     128             :                             11,  12,  13,  14,  15,  16,  17,  18,  19,  20, &
     129             :                             21,  22,  23,  24,  25,  26,  27,  28,  29,  30, &
     130             :                             31,  32,  33,  34,  35,  36,  37,  38,  39,  40, &
     131             :                             41,  42,  43,  44,  45,  46,  47,  48,  49,  50, &
     132             :                             51,  52,  53,  54,  55,  56,  57,  58,  59,  60, &
     133             :                             61,  62,  63,  64,  65,  66,  67,  68,  69,  70, &
     134             :                             71,  72,  73,  74,  75,  76,  77,  78,  79,  80, &
     135             :                             81,  82,  83,  84,  85,  86,  87,  88,  89,  90, &
     136             :                             91,  92,  93,  94,  95,  96,  97,  98,  99, 100, &
     137             :                            101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
     138             :                            111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
     139             :                            121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
     140      107520 :                            131, 132, 133, 134, 135, 136, 137, 138, 139 /)
     141             : 
     142             :       permute(:139,4) = (/    1,   2,  99,  43, 106,  63,   3,  27,  34,  35, &
     143             :                              29,  36,  30,  37,  31,  60, 107,  65,  32,  54, &
     144             :                              89,  55,  88,  56, 125,  38,  26, 117,  83,   4, &
     145             :                              69, 121,  39,  41,  50,   5,   6,   7,  81, 132, &
     146             :                             103,  28,  64,  33,  79,  40,  42,  48, 138,  49, &
     147             :                             126,  59,  77,  80,  73,  90,  44,  87,   8,   9, &
     148             :                              10, 137, 133, 131,  11,  12,  13,  14,  15, 123, &
     149             :                             108, 124, 136,  52,  53,  16,  17,  72,  18,  92, &
     150             :                              82,  45,  19,  20,  21,  22,  23,  24,  25, 109, &
     151             :                              96,  95,  84, 115,  94, 104, 110, 116,  57,  93, &
     152             :                             112,  68, 120,  46, 130,  47, 129,  74,  76,  66, &
     153             :                             113,  97, 111, 102, 105,  98, 101, 118, 119,  58, &
     154             :                              71, 122,  70,  78,  85,  51, 127, 128,  75, 100, &
     155      107520 :                              67,  91, 114, 134, 135,  86,  62,  61, 139 /)
     156             : 
     157             :       diag_map(:139) = (/    1,   2,   3,   4,   5,   6,   7,   8,   9,  10, &
     158             :                             11,  12,  13,  14,  15,  16,  17,  18,  19,  20, &
     159             :                             21,  22,  23,  24,  25,  26,  29,  32,  36,  40, &
     160             :                             44,  48,  52,  55,  60,  65,  70,  75,  77,  80, &
     161             :                             85,  90,  95,  98, 103, 107, 111, 116, 122, 125, &
     162             :                            131, 134, 139, 147, 155, 161, 167, 173, 179, 186, &
     163             :                            193, 200, 206, 214, 221, 230, 239, 246, 252, 256, &
     164             :                            264, 271, 278, 284, 292, 300, 309, 317, 324, 333, &
     165             :                            341, 351, 359, 369, 377, 388, 401, 416, 432, 446, &
     166             :                            461, 476, 490, 504, 519, 535, 550, 564, 582, 594, &
     167             :                            609, 625, 647, 669, 691, 715, 738, 787, 811, 833, &
     168             :                            866, 900, 926, 984,1014,1058,1104,1153,1197,1241, &
     169             :                           1284,1327,1388,1438,1487,1529,1566,1612,1656,1700, &
     170         768 :                           1741,1778,1827,1861,1898,1940,1983,2029,2090 /)
     171             : 
     172             :       extfrc_lst(: 25) = (/ 'so4_a2          ','DMS             ','NO2             ','SO2             ','bc_a1           ', &
     173             :                             'bc_a4           ','num_a1          ','num_a2          ','num_a4          ','num_a5          ', &
     174             :                             'pom_a1          ','pom_a4          ','so4_a1          ','so4_a5          ','CO              ', &
     175             :                             'NO              ','N               ','N2D             ','N2p             ','OH              ', &
     176       19968 :                             'Op              ','e               ','Np              ','O               ','O2p             ' /)
     177             : 
     178             :       frc_from_dataset(: 25) = (/ .true., .true., .true., .true., .true., &
     179             :                                   .true., .true., .true., .true., .true., &
     180             :                                   .true., .true., .true., .true., .true., &
     181             :                                   .true., .false., .false., .false., .false., &
     182         768 :                                   .false., .false., .false., .false., .false. /)
     183             : 
     184        2304 :       inv_lst(:  2) = (/ 'M               ', 'N2              ' /)
     185             : 
     186             :       slvd_lst(: 49) = (/ 'CLm             ', 'CLm_H2O         ', 'CLm_HCL         ', 'CLOm            ', 'CO3m            ', &
     187             :                           'CO3m2H2O        ', 'CO3m_H2O        ', 'CO4m            ', 'e               ', 'H3Op_OH         ', &
     188             :                           'HCO3m           ', 'HO2             ', 'Hp_2H2O         ', 'Hp_3H2O         ', 'Hp_3N1          ', &
     189             :                           'Hp_4H2O         ', 'Hp_4N1          ', 'Hp_5H2O         ', 'Hp_H2O          ', 'N2D             ', &
     190             :                           'N2p             ', 'NO2m            ', 'NO2m_H2O        ', 'NO3m            ', 'NO3m2H2O        ', &
     191             :                           'NO3m_H2O        ', 'NO3m_HCL        ', 'NO3mHNO3        ', 'NOp             ', 'NOp_2H2O        ', &
     192             :                           'NOp_3H2O        ', 'NOp_CO2         ', 'NOp_H2O         ', 'NOp_N2          ', 'Np              ', &
     193             :                           'O2_1D           ', 'O2_1S           ', 'O2m             ', 'O2p             ', 'O2p_H2O         ', &
     194             :                           'O3m             ', 'O4m             ', 'O4p             ', 'OH              ', 'OHm             ', &
     195       38400 :                           'Om              ', 'Op              ', 'Op2D            ', 'Op2P            ' /)
     196             : 
     197         768 :       if( allocated( rxt_tag_lst ) ) then
     198           0 :          deallocate( rxt_tag_lst )
     199             :       end if
     200         768 :       allocate( rxt_tag_lst(rxt_tag_cnt),stat=ios )
     201         768 :       if( ios /= 0 ) then
     202           0 :          write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_lst; error = ',ios
     203           0 :          call endrun
     204             :       end if
     205         768 :       if( allocated( rxt_tag_map ) ) then
     206           0 :          deallocate( rxt_tag_map )
     207             :       end if
     208         768 :       allocate( rxt_tag_map(rxt_tag_cnt),stat=ios )
     209         768 :       if( ios /= 0 ) then
     210           0 :          write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_map; error = ',ios
     211           0 :          call endrun
     212             :       end if
     213         768 :       rxt_tag_lst(     1:   200) = (/ 'jh2o_b                          ', 'jh2o_c                          ', &
     214             :                                       'jh2o_a                          ', 'jh2o2                           ', &
     215             :                                       'jo2_b                           ', 'jo2_a                           ', &
     216             :                                       'jo3_a                           ', 'jo3_b                           ', &
     217             :                                       'jhno3                           ', 'jho2no2_a                       ', &
     218             :                                       'jho2no2_b                       ', 'jhono                           ', &
     219             :                                       'jn2o                            ', 'jn2o5_a                         ', &
     220             :                                       'jn2o5_b                         ', 'jno_i                           ', &
     221             :                                       'jno                             ', 'jno2                            ', &
     222             :                                       'jno3_a                          ', 'jno3_b                          ', &
     223             :                                       'jch2o_a                         ', 'jch2o_b                         ', &
     224             :                                       'jch3ooh                         ', 'jch4_a                          ', &
     225             :                                       'jch4_b                          ', 'jco2                            ', &
     226             :                                       'jbrcl                           ', 'jbro                            ', &
     227             :                                       'jbrono2_b                       ', 'jbrono2_a                       ', &
     228             :                                       'jccl4                           ', 'jcf2clbr                        ', &
     229             :                                       'jcf3br                          ', 'jcfcl3                          ', &
     230             :                                       'jcfc113                         ', 'jcfc114                         ', &
     231             :                                       'jcfc115                         ', 'jcf2cl2                         ', &
     232             :                                       'jch2br2                         ', 'jch3br                          ', &
     233             :                                       'jch3ccl3                        ', 'jch3cl                          ', &
     234             :                                       'jchbr3                          ', 'jcl2                            ', &
     235             :                                       'jcl2o2                          ', 'jclo                            ', &
     236             :                                       'jclono2_a                       ', 'jclono2_b                       ', &
     237             :                                       'jcof2                           ', 'jcofcl                          ', &
     238             :                                       'jh2402                          ', 'jhbr                            ', &
     239             :                                       'jhcfc141b                       ', 'jhcfc142b                       ', &
     240             :                                       'jhcfc22                         ', 'jhcl                            ', &
     241             :                                       'jhf                             ', 'jhobr                           ', &
     242             :                                       'jhocl                           ', 'joclo                           ', &
     243             :                                       'jsf6                            ', 'jeuv_26                         ', &
     244             :                                       'jpni3                           ', 'jpni5                           ', &
     245             :                                       'jpni4                           ', 'jeuv_4                          ', &
     246             :                                       'jeuv_18                         ', 'jeuv_11                         ', &
     247             :                                       'jeuv_10                         ', 'jeuv_22                         ', &
     248             :                                       'jeuv_23                         ', 'jeuv_25                         ', &
     249             :                                       'jeuv_13                         ', 'jeuv_6                          ', &
     250             :                                       'jepn6                           ', 'jepn7                           ', &
     251             :                                       'jeuv_1                          ', 'jeuv_2                          ', &
     252             :                                       'jeuv_16                         ', 'jeuv_3                          ', &
     253             :                                       'jeuv_14                         ', 'jeuv_15                         ', &
     254             :                                       'jeuv_8                          ', 'jeuv_17                         ', &
     255             :                                       'jeuv_7                          ', 'jeuv_5                          ', &
     256             :                                       'jeuv_19                         ', 'jeuv_24                         ', &
     257             :                                       'jeuv_12                         ', 'jeuv_21                         ', &
     258             :                                       'jeuv_9                          ', 'jeuv_20                         ', &
     259             :                                       'jepn2                           ', 'jppi                            ', &
     260             :                                       'jpni1                           ', 'jepn3                           ', &
     261             :                                       'jpni2                           ', 'jepn4                           ', &
     262             :                                       'jepn1                           ', 'jh2so4                          ', &
     263             :                                       'jocs                            ', 'jso                             ', &
     264             :                                       'jso2                            ', 'jso3                            ', &
     265             :                                       'CLm_H                           ', 'CLmH2O_HCL                      ', &
     266             :                                       'CLm_H2O_Ma                      ', 'CLmHCL_M                        ', &
     267             :                                       'CLm_HNO3                        ', 'CLm_NO2                         ', &
     268             :                                       'CLOm_NOa                        ', 'CLOm_NOb                        ', &
     269             :                                       'CLOm_O                          ', 'CO3m_CLa                        ', &
     270             :                                       'CO3m_CLb                        ', 'CO3m_CLO                        ', &
     271             :                                       'CO3m_H                          ', 'CO3mH2O_H2O_M                   ', &
     272             :                                       'CO3m_H2O_M                      ', 'CO3mH2O_NO2a                    ', &
     273             :                                       'CO3mH2O_NO2b                    ', 'CO3mH2O_NOa                     ', &
     274             :                                       'CO3mH2O_NOb                     ', 'CO3m_HNO3                       ', &
     275             :                                       'CO3m_O                          ', 'CO3m_O2                         ', &
     276             :                                       'CO4m_CL                         ', 'CO4m_CLO                        ', &
     277             :                                       'CO4m_H                          ', 'CO4m_HCL                        ', &
     278             :                                       'CO4m_O                          ', 'CO4m_O3                         ', &
     279             :                                       'ean1                            ', 'ean2                            ', &
     280             :                                       'ean3                            ', 'edn1                            ', &
     281             :                                       'edn2                            ', 'H3OpOH_e                        ', &
     282             :                                       'H3OpOH_H2O                      ', 'Hp3N1_H2O                       ', &
     283             :                                       'Hp4H2O_e                        ', 'Hp4H2O_N2O5                     ', &
     284             :                                       'Hp4N1_H2O                       ', 'Hp5H2O_e                        ', &
     285             :                                       'Hp5H2O_N2O5                     ', 'iira1                           ', &
     286             :                                       'iira10                          ', 'iira100                         ', &
     287             :                                       'iira101                         ', 'iira102                         ', &
     288             :                                       'iira103                         ', 'iira104                         ', &
     289             :                                       'iira105                         ', 'iira106                         ', &
     290             :                                       'iira107                         ', 'iira108                         ', &
     291             :                                       'iira109                         ', 'iira11                          ', &
     292             :                                       'iira110                         ', 'iira111                         ', &
     293             :                                       'iira112                         ', 'iira12                          ', &
     294             :                                       'iira13                          ', 'iira14                          ', &
     295             :                                       'iira15                          ', 'iira16                          ', &
     296             :                                       'iira17                          ', 'iira18                          ', &
     297             :                                       'iira19                          ', 'iira2                           ', &
     298             :                                       'iira20                          ', 'iira21                          ', &
     299             :                                       'iira22                          ', 'iira23                          ', &
     300             :                                       'iira24                          ', 'iira25                          ', &
     301             :                                       'iira26                          ', 'iira27                          ', &
     302             :                                       'iira28                          ', 'iira29                          ', &
     303             :                                       'iira3                           ', 'iira30                          ', &
     304             :                                       'iira31                          ', 'iira32                          ', &
     305             :                                       'iira33                          ', 'iira34                          ', &
     306             :                                       'iira35                          ', 'iira36                          ', &
     307             :                                       'iira37                          ', 'iira38                          ', &
     308             :                                       'iira39                          ', 'iira4                           ', &
     309             :                                       'iira40                          ', 'iira41                          ', &
     310             :                                       'iira42                          ', 'iira43                          ', &
     311             :                                       'iira44                          ', 'iira45                          ', &
     312      155136 :                                       'iira46                          ', 'iira47                          ' /)
     313         768 :       rxt_tag_lst(   201:   400) = (/ 'iira48                          ', 'iira49                          ', &
     314             :                                       'iira5                           ', 'iira50                          ', &
     315             :                                       'iira51                          ', 'iira52                          ', &
     316             :                                       'iira53                          ', 'iira54                          ', &
     317             :                                       'iira55                          ', 'iira56                          ', &
     318             :                                       'iira57                          ', 'iira58                          ', &
     319             :                                       'iira59                          ', 'iira6                           ', &
     320             :                                       'iira60                          ', 'iira61                          ', &
     321             :                                       'iira62                          ', 'iira63                          ', &
     322             :                                       'iira64                          ', 'iira65                          ', &
     323             :                                       'iira66                          ', 'iira67                          ', &
     324             :                                       'iira68                          ', 'iira69                          ', &
     325             :                                       'iira7                           ', 'iira70                          ', &
     326             :                                       'iira71                          ', 'iira72                          ', &
     327             :                                       'iira73                          ', 'iira74                          ', &
     328             :                                       'iira75                          ', 'iira76                          ', &
     329             :                                       'iira77                          ', 'iira78                          ', &
     330             :                                       'iira79                          ', 'iira8                           ', &
     331             :                                       'iira80                          ', 'iira81                          ', &
     332             :                                       'iira82                          ', 'iira83                          ', &
     333             :                                       'iira84                          ', 'iira85                          ', &
     334             :                                       'iira86                          ', 'iira87                          ', &
     335             :                                       'iira88                          ', 'iira89                          ', &
     336             :                                       'iira9                           ', 'iira90                          ', &
     337             :                                       'iira91                          ', 'iira92                          ', &
     338             :                                       'iira93                          ', 'iira94                          ', &
     339             :                                       'iira95                          ', 'iira96                          ', &
     340             :                                       'iira97                          ', 'iira98                          ', &
     341             :                                       'iira99                          ', 'iirb1                           ', &
     342             :                                       'iirb10                          ', 'iirb11                          ', &
     343             :                                       'iirb12                          ', 'iirb13                          ', &
     344             :                                       'iirb14                          ', 'iirb2                           ', &
     345             :                                       'iirb3                           ', 'iirb4                           ', &
     346             :                                       'iirb5                           ', 'iirb6                           ', &
     347             :                                       'iirb7                           ', 'iirb8                           ', &
     348             :                                       'iirb9                           ', 'nir1                            ', &
     349             :                                       'nir10                           ', 'nir11                           ', &
     350             :                                       'nir12                           ', 'nir13                           ', &
     351             :                                       'nir2                            ', 'nir3                            ', &
     352             :                                       'nir4                            ', 'nir5                            ', &
     353             :                                       'nir6                            ', 'nir7                            ', &
     354             :                                       'nir8                            ', 'nir9                            ', &
     355             :                                       'NO2m_CL                         ', 'NO2m_CLO                        ', &
     356             :                                       'NO2m_H                          ', 'NO2m_H2O_M                      ', &
     357             :                                       'NO2m_HCL                        ', 'NO2m_HNO3                       ', &
     358             :                                       'NO2m_NO2                        ', 'NO2m_O3                         ', &
     359             :                                       'NO3m2H2O_N2O5                   ', 'NO3mH2O_H2O_M                   ', &
     360             :                                       'NO3mH2O_HNO3                    ', 'NO3m_H2O_M                      ', &
     361             :                                       'NO3mH2O_N2O5                    ', 'NO3m_HCLa                       ', &
     362             :                                       'NO3mHCL_HNO3                    ', 'NO3m_HNO3_M                     ', &
     363             :                                       'NO3m_O                          ', 'NO3m_O3                         ', &
     364             :                                       'NOp2H2O_e                       ', 'NOp3H2O_e                       ', &
     365             :                                       'NOp3H2O_H2O                     ', 'NOpCO2_e                        ', &
     366             :                                       'NOpCO2_H2O                      ', 'NOpH2O_e                        ', &
     367             :                                       'NOpH2O_H                        ', 'NOpH2O_HO2                      ', &
     368             :                                       'NOpH2O_OH                       ', 'NOpN2_CO2                       ', &
     369             :                                       'NOpN2_H2O                       ', 'O2m_CL                          ', &
     370             :                                       'O2m_CLO                         ', 'O2m_CO2_M                       ', &
     371             :                                       'O2m_H                           ', 'O2m_HCL                         ', &
     372             :                                       'O2m_HNO3                        ', 'O2m_NO2                         ', &
     373             :                                       'O2m_O21D                        ', 'O2m_O2_M                        ', &
     374             :                                       'O2m_O3                          ', 'O2m_O_a                         ', &
     375             :                                       'O2m_O_b                         ', 'O2pH2O_e                        ', &
     376             :                                       'O2pH2O_H2Oa                     ', 'O2pH2O_H2Ob                     ', &
     377             :                                       'O2p_H2O_M                       ', 'O3m_CO2                         ', &
     378             :                                       'O3m_H                           ', 'O3m_O3                          ', &
     379             :                                       'O3m_O_a                         ', 'O3m_O_b                         ', &
     380             :                                       'O4m_CO2                         ', 'O4m_O                           ', &
     381             :                                       'O4p_H2O                         ', 'O4p_O                           ', &
     382             :                                       'O4p_O21D                        ', 'OH_HONO                         ', &
     383             :                                       'OHm_CL                          ', 'OHm_CLO                         ', &
     384             :                                       'OHm_CO2                         ', 'OHm_H                           ', &
     385             :                                       'OHm_HCL                         ', 'OHm_NO2                         ', &
     386             :                                       'OHm_O                           ', 'OHm_O3                          ', &
     387             :                                       'OH_NO_M                         ', 'Om_CL                           ', &
     388             :                                       'Om_CLO                          ', 'Om_CO2_M                        ', &
     389             :                                       'Om_H2_a                         ', 'Om_H2_b                         ', &
     390             :                                       'Om_H2O                          ', 'Om_HCL                          ', &
     391             :                                       'Om_HNO3                         ', 'Om_M                            ', &
     392             :                                       'Om_NO2                          ', 'Om_O                            ', &
     393             :                                       'Om_O21D                         ', 'Om_O2_M                         ', &
     394             :                                       'Om_O3                           ', 'pir1                            ', &
     395             :                                       'pir10                           ', 'pir11                           ', &
     396             :                                       'pir12                           ', 'pir13                           ', &
     397             :                                       'pir14                           ', 'pir15                           ', &
     398             :                                       'pir16                           ', 'pir2                            ', &
     399             :                                       'pir3                            ', 'pir4                            ', &
     400             :                                       'pir5                            ', 'pir6                            ', &
     401             :                                       'pir7                            ', 'pir8                            ', &
     402             :                                       'pir9                            ', 'rpe1                            ', &
     403             :                                       'rpe2                            ', 'rpe3                            ', &
     404             :                                       'rpe4                            ', 'rpe5                            ', &
     405             :                                       'usr_CLm_H2O_M                   ', 'usr_CLm_HCL_M                   ', &
     406             :                                       'ag1                             ', 'ag2                             ', &
     407             :                                       'O1D_H2                          ', 'O1D_H2O                         ', &
     408             :                                       'O1D_N2                          ', 'O1D_O2                          ', &
     409             :                                       'O1D_O2b                         ', 'O1D_O3                          ', &
     410             :                                       'O2_1D_N2                        ', 'O2_1D_O                         ', &
     411             :                                       'O2_1D_O2                        ', 'O2_1S_CO2                       ', &
     412      155136 :                                       'O2_1S_N2                        ', 'O2_1S_O                         ' /)
     413         768 :       rxt_tag_lst(   401:   600) = (/ 'O2_1S_O2                        ', 'O2_1S_O3                        ', &
     414             :                                       'O_O3                            ', 'usr_O_O                         ', &
     415             :                                       'usr_O_O2                        ', 'H2_O                            ', &
     416             :                                       'H2O2_O                          ', 'H_HO2                           ', &
     417             :                                       'H_HO2a                          ', 'H_HO2b                          ', &
     418             :                                       'H_O2                            ', 'HO2_O                           ', &
     419             :                                       'HO2_O3                          ', 'H_O3                            ', &
     420             :                                       'OH_H2                           ', 'OH_H2O2                         ', &
     421             :                                       'OH_HO2                          ', 'OH_O                            ', &
     422             :                                       'OH_O3                           ', 'OH_OH                           ', &
     423             :                                       'OH_OH_M                         ', 'usr_HO2_HO2                     ', &
     424             :                                       'HO2NO2_OH                       ', 'N2D_O                           ', &
     425             :                                       'N2D_O2                          ', 'N_NO                            ', &
     426             :                                       'N_NO2a                          ', 'N_NO2b                          ', &
     427             :                                       'N_NO2c                          ', 'N_O2                            ', &
     428             :                                       'NO2_O                           ', 'NO2_O3                          ', &
     429             :                                       'NO2_O_M                         ', 'NO3_HO2                         ', &
     430             :                                       'NO3_NO                          ', 'NO3_O                           ', &
     431             :                                       'NO3_OH                          ', 'N_OH                            ', &
     432             :                                       'NO_HO2                          ', 'NO_O3                           ', &
     433             :                                       'NO_O_M                          ', 'O1D_N2Oa                        ', &
     434             :                                       'O1D_N2Ob                        ', 'tag_NO2_HO2                     ', &
     435             :                                       'tag_NO2_NO3                     ', 'tag_NO2_OH                      ', &
     436             :                                       'usr_HNO3_OH                     ', 'usr_HO2NO2_M                    ', &
     437             :                                       'usr_N2O5_M                      ', 'CL_CH2O                         ', &
     438             :                                       'CL_CH4                          ', 'CL_H2                           ', &
     439             :                                       'CL_H2O2                         ', 'CL_HO2a                         ', &
     440             :                                       'CL_HO2b                         ', 'CL_O3                           ', &
     441             :                                       'CLO_CH3O2                       ', 'CLO_CLOa                        ', &
     442             :                                       'CLO_CLOb                        ', 'CLO_CLOc                        ', &
     443             :                                       'CLO_HO2                         ', 'CLO_NO                          ', &
     444             :                                       'CLONO2_CL                       ', 'CLO_NO2_M                       ', &
     445             :                                       'CLONO2_O                        ', 'CLONO2_OH                       ', &
     446             :                                       'CLO_O                           ', 'CLO_OHa                         ', &
     447             :                                       'CLO_OHb                         ', 'HCL_O                           ', &
     448             :                                       'HCL_OH                          ', 'HOCL_CL                         ', &
     449             :                                       'HOCL_O                          ', 'HOCL_OH                         ', &
     450             :                                       'O1D_CCL4                        ', 'O1D_CF2CLBR                     ', &
     451             :                                       'O1D_CFC11                       ', 'O1D_CFC113                      ', &
     452             :                                       'O1D_CFC114                      ', 'O1D_CFC115                      ', &
     453             :                                       'O1D_CFC12                       ', 'O1D_HCLa                        ', &
     454             :                                       'O1D_HCLb                        ', 'tag_CLO_CLO_M                   ', &
     455             :                                       'usr_CL2O2_M                     ', 'BR_CH2O                         ', &
     456             :                                       'BR_HO2                          ', 'BR_O3                           ', &
     457             :                                       'BRO_BRO                         ', 'BRO_CLOa                        ', &
     458             :                                       'BRO_CLOb                        ', 'BRO_CLOc                        ', &
     459             :                                       'BRO_HO2                         ', 'BRO_NO                          ', &
     460             :                                       'BRO_NO2_M                       ', 'BRONO2_O                        ', &
     461             :                                       'BRO_O                           ', 'BRO_OH                          ', &
     462             :                                       'HBR_O                           ', 'HBR_OH                          ', &
     463             :                                       'HOBR_O                          ', 'O1D_CF3BR                       ', &
     464             :                                       'O1D_CHBR3                       ', 'O1D_H2402                       ', &
     465             :                                       'O1D_HBRa                        ', 'O1D_HBRb                        ', &
     466             :                                       'F_CH4                           ', 'F_H2                            ', &
     467             :                                       'F_H2O                           ', 'F_HNO3                          ', &
     468             :                                       'O1D_COF2                        ', 'O1D_COFCL                       ', &
     469             :                                       'CH2BR2_CL                       ', 'CH2BR2_OH                       ', &
     470             :                                       'CH3BR_CL                        ', 'CH3BR_OH                        ', &
     471             :                                       'CH3CCL3_OH                      ', 'CH3CL_CL                        ', &
     472             :                                       'CH3CL_OH                        ', 'CHBR3_CL                        ', &
     473             :                                       'CHBR3_OH                        ', 'HCFC141B_OH                     ', &
     474             :                                       'HCFC142B_OH                     ', 'HCFC22_OH                       ', &
     475             :                                       'O1D_CH2BR2                      ', 'O1D_CH3BR                       ', &
     476             :                                       'O1D_HCFC141B                    ', 'O1D_HCFC142B                    ', &
     477             :                                       'O1D_HCFC22                      ', 'CH2O_NO3                        ', &
     478             :                                       'CH2O_O                          ', 'CH2O_OH                         ', &
     479             :                                       'CH3O2_HO2                       ', 'CH3O2_NO                        ', &
     480             :                                       'CH3OOH_OH                       ', 'CH4_OH                          ', &
     481             :                                       'O1D_CH4a                        ', 'O1D_CH4b                        ', &
     482             :                                       'O1D_CH4c                        ', 'usr_CO_OH                       ', &
     483             :                                       'DMS_NO3                         ', 'DMS_OHa                         ', &
     484             :                                       'OCS_O                           ', 'OCS_OH                          ', &
     485             :                                       'S_O2                            ', 'SO2_OH_M                        ', &
     486             :                                       'S_O3                            ', 'SO_BRO                          ', &
     487             :                                       'SO_CLO                          ', 'S_OH                            ', &
     488             :                                       'SO_NO2                          ', 'SO_O2                           ', &
     489             :                                       'SO_O3                           ', 'SO_OCLO                         ', &
     490             :                                       'SO_OH                           ', 'usr_DMS_OH                      ', &
     491             :                                       'usr_SO3_H2O                     ', 'usr_HO2_aer                     ', &
     492             :                                       'usr_N2O5_aer                    ', 'usr_NO2_aer                     ', &
     493             :                                       'usr_NO3_aer                     ', 'het1                            ', &
     494             :                                       'het10                           ', 'het11                           ', &
     495             :                                       'het12                           ', 'het13                           ', &
     496             :                                       'het14                           ', 'het15                           ', &
     497             :                                       'het16                           ', 'het17                           ', &
     498             :                                       'het2                            ', 'het3                            ', &
     499             :                                       'het4                            ', 'het5                            ', &
     500             :                                       'het6                            ', 'het7                            ', &
     501             :                                       'het8                            ', 'het9                            ', &
     502             :                                       'ag247nm                         ', 'ag373nm                         ', &
     503             :                                       'ag732nm                         ', 'elec1                           ', &
     504             :                                       'elec2                           ', 'elec3                           ', &
     505             :                                       'ion_N2p_O2                      ', 'ion_N2p_Oa                      ', &
     506             :                                       'ion_N2p_Ob                      ', 'ion_Np_O                        ', &
     507             :                                       'ion_Np_O2a                      ', 'ion_Np_O2b                      ', &
     508             :                                       'ion_O2p_N                       ', 'ion_O2p_N2                      ', &
     509             :                                       'ion_O2p_NO                      ', 'ion_Op_CO2                      ', &
     510             :                                       'ion_Op_N2                       ', 'ion_Op_N2D                      ', &
     511             :                                       'ion_Op_O2                       ', 'Op2D_e                          ', &
     512      155136 :                                       'Op2D_N2                         ', 'Op2D_O                          ' /)
     513         768 :       rxt_tag_lst(   601:   606) = (/ 'Op2D_O2                         ', 'Op2P_ea                         ', &
     514             :                                       'Op2P_eb                         ', 'Op2P_N2a                        ', &
     515        6144 :                                       'Op2P_N2b                        ', 'Op2P_O                          ' /)
     516           0 :       rxt_tag_map(:rxt_tag_cnt) = (/    1,   2,   3,   4,   5,   6,   7,   8,   9,  10, &
     517             :                                        11,  12,  13,  14,  15,  16,  17,  18,  19,  20, &
     518             :                                        21,  22,  23,  24,  25,  26,  27,  28,  29,  30, &
     519             :                                        31,  32,  33,  34,  35,  36,  37,  38,  39,  40, &
     520             :                                        41,  42,  43,  44,  45,  46,  47,  48,  49,  50, &
     521             :                                        51,  52,  53,  54,  55,  56,  57,  58,  59,  60, &
     522             :                                        61,  62,  63,  64,  65,  66,  67,  68,  69,  70, &
     523             :                                        71,  72,  73,  74,  75,  76,  77,  78,  79,  80, &
     524             :                                        81,  82,  83,  84,  85,  86,  87,  88,  89,  90, &
     525             :                                        91,  92,  93,  94,  95,  96,  97,  98,  99, 100, &
     526             :                                       101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
     527             :                                       111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
     528             :                                       121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
     529             :                                       131, 132, 133, 134, 135, 136, 137, 138, 139, 140, &
     530             :                                       141, 142, 143, 144, 145, 146, 147, 148, 149, 150, &
     531             :                                       151, 152, 153, 154, 155, 156, 157, 158, 159, 160, &
     532             :                                       161, 162, 163, 164, 165, 166, 167, 168, 169, 170, &
     533             :                                       171, 172, 173, 174, 175, 176, 177, 178, 179, 180, &
     534             :                                       181, 182, 183, 184, 185, 186, 187, 188, 189, 190, &
     535             :                                       191, 192, 193, 194, 195, 196, 197, 198, 199, 200, &
     536             :                                       201, 202, 203, 204, 205, 206, 207, 208, 209, 210, &
     537             :                                       211, 212, 213, 214, 215, 216, 217, 218, 219, 220, &
     538             :                                       221, 222, 223, 224, 225, 226, 227, 228, 229, 230, &
     539             :                                       231, 232, 233, 234, 235, 236, 237, 238, 239, 240, &
     540             :                                       241, 242, 243, 244, 245, 246, 247, 248, 249, 250, &
     541             :                                       251, 252, 253, 254, 255, 256, 257, 258, 259, 260, &
     542             :                                       261, 262, 263, 264, 265, 266, 267, 268, 269, 270, &
     543             :                                       271, 272, 273, 274, 275, 276, 277, 278, 279, 280, &
     544             :                                       281, 282, 283, 284, 285, 286, 287, 288, 289, 290, &
     545             :                                       291, 292, 293, 294, 295, 296, 297, 298, 299, 300, &
     546             :                                       301, 302, 303, 304, 305, 306, 307, 308, 309, 310, &
     547             :                                       311, 312, 313, 314, 315, 316, 317, 318, 319, 320, &
     548             :                                       321, 322, 323, 324, 325, 326, 327, 328, 329, 330, &
     549             :                                       331, 332, 333, 334, 335, 336, 337, 338, 339, 340, &
     550             :                                       341, 342, 343, 344, 345, 346, 347, 348, 349, 350, &
     551             :                                       351, 352, 353, 354, 355, 356, 357, 358, 359, 360, &
     552             :                                       361, 362, 363, 364, 365, 366, 367, 368, 369, 370, &
     553             :                                       371, 372, 373, 374, 375, 376, 377, 378, 379, 380, &
     554             :                                       381, 382, 383, 384, 385, 386, 387, 388, 389, 390, &
     555             :                                       391, 392, 393, 394, 395, 396, 397, 398, 399, 400, &
     556             :                                       401, 402, 403, 404, 405, 406, 407, 408, 409, 410, &
     557             :                                       411, 412, 413, 414, 415, 416, 417, 418, 419, 420, &
     558             :                                       421, 422, 423, 424, 425, 426, 427, 428, 429, 430, &
     559             :                                       431, 432, 433, 434, 435, 436, 437, 438, 439, 440, &
     560             :                                       441, 442, 443, 444, 445, 446, 447, 448, 449, 450, &
     561             :                                       451, 452, 453, 454, 455, 456, 457, 458, 459, 460, &
     562             :                                       461, 462, 463, 464, 465, 466, 467, 468, 469, 470, &
     563             :                                       471, 472, 473, 474, 475, 476, 477, 478, 479, 480, &
     564             :                                       481, 482, 483, 484, 485, 486, 487, 488, 489, 490, &
     565             :                                       491, 492, 493, 494, 495, 496, 497, 498, 499, 500, &
     566             :                                       501, 502, 503, 504, 505, 506, 507, 508, 509, 510, &
     567             :                                       511, 512, 513, 514, 515, 516, 517, 518, 519, 520, &
     568             :                                       521, 522, 523, 524, 525, 526, 527, 528, 529, 530, &
     569             :                                       531, 532, 533, 534, 535, 536, 537, 538, 539, 540, &
     570             :                                       541, 542, 543, 544, 545, 546, 547, 548, 549, 550, &
     571             :                                       551, 552, 553, 554, 555, 556, 557, 558, 559, 560, &
     572             :                                       561, 562, 563, 564, 565, 566, 567, 568, 569, 570, &
     573             :                                       571, 572, 573, 574, 575, 576, 577, 578, 579, 580, &
     574             :                                       581, 582, 583, 584, 585, 586, 587, 588, 589, 590, &
     575             :                                       591, 592, 593, 594, 595, 596, 597, 598, 599, 600, &
     576      466944 :                                       601, 602, 603, 604, 605, 606 /)
     577         768 :       if( allocated( pht_alias_lst ) ) then
     578           0 :          deallocate( pht_alias_lst )
     579             :       end if
     580         768 :       allocate( pht_alias_lst(phtcnt,2),stat=ios )
     581         768 :       if( ios /= 0 ) then
     582           0 :          write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_lst; error = ',ios
     583           0 :          call endrun
     584             :       end if
     585         768 :       if( allocated( pht_alias_mult ) ) then
     586           0 :          deallocate( pht_alias_mult )
     587             :       end if
     588         768 :       allocate( pht_alias_mult(phtcnt,2),stat=ios )
     589         768 :       if( ios /= 0 ) then
     590           0 :          write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_mult; error = ',ios
     591           0 :          call endrun
     592             :       end if
     593           0 :       pht_alias_lst(:,1) = (/ '                ', '                ', '                ', '                ', &
     594             :                               'userdefined     ', 'userdefined     ', '                ', '                ', &
     595             :                               '                ', '                ', '                ', '                ', &
     596             :                               '                ', '                ', '                ', '                ', &
     597             :                               'userdefined     ', '                ', '                ', '                ', &
     598             :                               '                ', '                ', '                ', '                ', &
     599             :                               '                ', '                ', '                ', '                ', &
     600             :                               '                ', '                ', '                ', '                ', &
     601             :                               '                ', '                ', '                ', '                ', &
     602             :                               '                ', '                ', '                ', '                ', &
     603             :                               '                ', '                ', '                ', '                ', &
     604             :                               '                ', '                ', '                ', '                ', &
     605             :                               '                ', '                ', '                ', '                ', &
     606             :                               '                ', '                ', '                ', '                ', &
     607             :                               '                ', '                ', '                ', '                ', &
     608             :                               '                ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     609             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     610             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     611             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     612             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     613             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     614             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     615             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     616             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     617             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', '                ', &
     618       80640 :                               '                ', '                ', '                ', '                ' /)
     619           0 :       pht_alias_lst(:,2) = (/ '                ', '                ', '                ', '                ', &
     620             :                               '                ', '                ', '                ', '                ', &
     621             :                               '                ', '                ', '                ', '                ', &
     622             :                               '                ', '                ', '                ', '                ', &
     623             :                               '                ', '                ', '                ', '                ', &
     624             :                               '                ', '                ', '                ', '                ', &
     625             :                               '                ', '                ', '                ', '                ', &
     626             :                               '                ', '                ', '                ', '                ', &
     627             :                               '                ', '                ', '                ', '                ', &
     628             :                               '                ', '                ', '                ', '                ', &
     629             :                               '                ', '                ', '                ', '                ', &
     630             :                               '                ', '                ', '                ', '                ', &
     631             :                               '                ', '                ', '                ', '                ', &
     632             :                               '                ', '                ', '                ', '                ', &
     633             :                               '                ', '                ', '                ', '                ', &
     634             :                               '                ', 'userdefined     ', '                ', '                ', &
     635             :                               '                ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     636             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     637             :                               'userdefined     ', 'userdefined     ', '                ', '                ', &
     638             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     639             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     640             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     641             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     642             :                               '                ', '                ', '                ', '                ', &
     643             :                               '                ', '                ', '                ', '                ', &
     644       80640 :                               '                ', '                ', '                ', '                ' /)
     645           0 :       pht_alias_mult(:,1) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     646             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     647             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     648             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     649             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     650             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     651             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     652             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     653             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     654             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     655             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     656             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     657             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     658             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     659             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     660             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     661             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     662             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     663             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     664             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     665       80640 :                           1._r8, 1._r8, 1._r8, 1._r8 /)
     666           0 :       pht_alias_mult(:,2) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     667             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     668             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     669             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     670             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     671             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     672             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     673             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     674             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     675             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     676             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     677             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     678             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     679             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     680             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     681             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     682             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     683             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     684             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     685             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     686       80640 :                           1._r8, 1._r8, 1._r8, 1._r8 /)
     687         768 :       allocate( cph_enthalpy(enthalpy_cnt),stat=ios )
     688         768 :       if( ios /= 0 ) then
     689           0 :          write(iulog,*) 'set_sim_dat: failed to allocate cph_enthalpy; error = ',ios
     690           0 :          call endrun
     691             :       end if
     692         768 :       allocate( cph_rid(enthalpy_cnt),stat=ios )
     693         768 :       if( ios /= 0 ) then
     694           0 :          write(iulog,*) 'set_sim_dat: failed to allocate cph_rid; error = ',ios
     695           0 :          call endrun
     696             :       end if
     697             :       cph_rid(:)      = (/             391,            392,            393,            395,            396, &
     698             :                                        397,            399,            400,            401,            402, &
     699             :                                        403,            404,            405,            408,            411, &
     700             :                                        412,            413,            414,            417,            418, &
     701             :                                        419,            422,            424,            425,            426, &
     702             :                                        430,            431,            439,            440,            579, &
     703             :                                        580,            581,            582,            583,            584, &
     704             :                                        585,            586,            588,            589,            590, &
     705             :                                        591,            593,            595,            596,            597, &
     706             :                                        598,            599,            600,            601,            602, &
     707       42240 :                                        603,            604,            605,            606 /)
     708             :       cph_enthalpy(:) = (/   189.810000_r8,   32.910000_r8,  189.810000_r8,   94.300000_r8,   94.300000_r8, &
     709             :                               94.300000_r8,   62.600000_r8,   62.600000_r8,   62.600000_r8,   62.600000_r8, &
     710             :                              392.190000_r8,  493.580000_r8,  101.390000_r8,  232.590000_r8,  203.400000_r8, &
     711             :                              226.580000_r8,  120.100000_r8,  194.710000_r8,  293.620000_r8,   67.670000_r8, &
     712             :                              165.300000_r8,  165.510000_r8,  229.610000_r8,  177.510000_r8,  313.750000_r8, &
     713             :                              133.750000_r8,  193.020000_r8,   34.470000_r8,  199.170000_r8,  483.390000_r8, &
     714             :                              321.300000_r8,  163.060000_r8,   82.389000_r8,  508.950000_r8,  354.830000_r8, &
     715             :                              339.590000_r8,   67.530000_r8,   95.550000_r8,  239.840000_r8,  646.280000_r8, &
     716             :                              406.160000_r8,  271.380000_r8,  105.040000_r8,  139.900000_r8,  150.110000_r8, &
     717             :                              319.370000_r8,  128.320000_r8,  319.360000_r8,  469.400000_r8,  163.060000_r8, &
     718       42240 :                              482.430000_r8,  291.380000_r8,   67.540000_r8,  501.720000_r8 /)
     719         768 :       allocate( num_rnts(rxntot-phtcnt),stat=ios )
     720         768 :       if( ios /= 0 ) then
     721           0 :          write(iulog,*) 'set_sim_dat: failed to allocate num_rnts; error = ',ios
     722           0 :          call endrun
     723             :       end if
     724             :       num_rnts(:) = (/      2,     2,     3,     3,     2,     2,     2,     2,     2,     2, &
     725             :                             2,     2,     2,     3,     3,     2,     2,     2,     2,     2, &
     726             :                             2,     2,     2,     2,     2,     2,     2,     2,     3,     2, &
     727             :                             3,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     728             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     729             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     730             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     731             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     732             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     733             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     734             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     735             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     736             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     737             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     738             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     739             :                             2,     2,     2,     3,     3,     3,     3,     3,     3,     3, &
     740             :                             3,     3,     3,     3,     3,     3,     3,     2,     2,     2, &
     741             :                             2,     3,     2,     2,     2,     2,     2,     2,     2,     2, &
     742             :                             2,     2,     2,     3,     2,     2,     2,     2,     2,     3, &
     743             :                             2,     3,     2,     2,     2,     3,     2,     2,     2,     2, &
     744             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     745             :                             2,     3,     2,     2,     2,     2,     2,     3,     2,     2, &
     746             :                             2,     2,     2,     2,     3,     2,     2,     2,     2,     2, &
     747             :                             2,     2,     2,     2,     2,     2,     2,     2,     3,     2, &
     748             :                             2,     2,     2,     2,     3,     2,     2,     3,     2,     2, &
     749             :                             2,     2,     2,     2,     2,     2,     2,     3,     2,     3, &
     750             :                             3,     3,     3,     3,     2,     3,     2,     3,     2,     3, &
     751             :                             2,     3,     2,     3,     2,     2,     2,     2,     2,     2, &
     752             :                             2,     2,     1,     1,     2,     2,     2,     2,     2,     2, &
     753             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     3, &
     754             :                             3,     2,     2,     2,     2,     2,     3,     2,     2,     2, &
     755             :                             2,     2,     2,     2,     2,     2,     3,     2,     2,     2, &
     756             :                             2,     2,     2,     2,     2,     2,     2,     2,     3,     2, &
     757             :                             2,     2,     2,     2,     2,     2,     3,     2,     2,     3, &
     758             :                             3,     3,     2,     2,     2,     2,     2,     2,     2,     2, &
     759             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     3, &
     760             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     761             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     3, &
     762             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     763             :                             3,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     764             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     765             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     766             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     767             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     768             :                             2,     3,     2,     2,     2,     2,     2,     2,     2,     2, &
     769             :                             2,     2,     2,     1,     1,     1,     1,     1,     2,     1, &
     770             :                             1,     1,     1,     2,     2,     2,     1,     1,     2,     2, &
     771             :                             2,     1,     1,     2,     1,     1,     1,     2,     2,     2, &
     772             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     773             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     774      386304 :                             2,     2 /)
     775             : 
     776         768 :       end subroutine set_sim_dat
     777             : 
     778             :       end module mo_sim_dat

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