LCOV - code coverage report
Current view: top level - chemistry/pp_trop_strat_noaero - mo_sim_dat.F90 (source / functions) Hit Total Coverage
Test: coverage.info Lines: 51 74 68.9 %
Date: 2025-03-14 01:30:37 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        1536 :       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        1536 :       is_scalar = .false.
      32        1536 :       is_vector = .true.
      33             : 
      34        1536 :       clscnt(:) = (/     31,     0,     0,   171,     0 /)
      35             : 
      36        7680 :       cls_rxt_cnt(:,1) = (/     37,    61,     0,    31 /)
      37        7680 :       cls_rxt_cnt(:,4) = (/     23,   164,   340,   171 /)
      38             : 
      39             :       solsym(:202) = (/ 'ALKNIT          ','ALKOOH          ','AOA_NH          ','BCARY           ','BENZENE         ', &
      40             :                         'BENZOOH         ','BEPOMUC         ','BIGALD          ','BIGALD1         ','BIGALD2         ', &
      41             :                         'BIGALD3         ','BIGALD4         ','BIGALK          ','BIGENE          ','BR              ', &
      42             :                         'BRCL            ','BRO             ','BRONO2          ','BRY             ','BZALD           ', &
      43             :                         'BZOOH           ','C2H2            ','C2H4            ','C2H5OH          ','C2H5OOH         ', &
      44             :                         'C2H6            ','C3H6            ','C3H7OOH         ','C3H8            ','C6H5OOH         ', &
      45             :                         'CCL4            ','CF2CLBR         ','CF3BR           ','CFC11           ','CFC113          ', &
      46             :                         'CFC114          ','CFC115          ','CFC12           ','CH2BR2          ','CH2O            ', &
      47             :                         'CH3BR           ','CH3CCL3         ','CH3CHO          ','CH3CL           ','CH3CN           ', &
      48             :                         'CH3COCH3        ','CH3COCHO        ','CH3COOH         ','CH3COOOH        ','CH3OH           ', &
      49             :                         'CH3OOH          ','CH4             ','CHBR3           ','CL              ','CL2             ', &
      50             :                         'CL2O2           ','CLO             ','CLONO2          ','CLY             ','CO              ', &
      51             :                         'CO2             ','COF2            ','COFCL           ','CRESOL          ','DMS             ', &
      52             :                         'E90             ','EOOH            ','F               ','GLYALD          ','GLYOXAL         ', &
      53             :                         'H               ','H2              ','H2402           ','H2O2            ','H2SO4           ', &
      54             :                         'HBR             ','HCFC141B        ','HCFC142B        ','HCFC22          ','HCL             ', &
      55             :                         'HCN             ','HCOOH           ','HF              ','HNO3            ','HO2NO2          ', &
      56             :                         'HOBR            ','HOCL            ','HONITR          ','HPALD           ','HYAC            ', &
      57             :                         'HYDRALD         ','IEPOX           ','ISOP            ','ISOPNITA        ','ISOPNITB        ', &
      58             :                         'ISOPNO3         ','ISOPNOOH        ','ISOPOOH         ','IVOC            ','MACR            ', &
      59             :                         'MACROOH         ','MEK             ','MEKOOH          ','MPAN            ','MTERP           ', &
      60             :                         'MVK             ','N               ','N2O             ','N2O5            ','NC4CH2OH        ', &
      61             :                         'NC4CHO          ','NH3             ','NH4             ','NH_5            ','NH_50           ', &
      62             :                         'NO              ','NO2             ','NO3             ','NOA             ','NTERPOOH        ', &
      63             :                         'O               ','O3              ','O3S             ','OCLO            ','OCS             ', &
      64             :                         'ONITR           ','PAN             ','PBZNIT          ','PHENO           ','PHENOL          ', &
      65             :                         'PHENOOH         ','POOH            ','ROOH            ','S               ','SF6             ', &
      66             :                         'SO              ','SO2             ','SO3             ','SOAG0           ','SOAG1           ', &
      67             :                         'SOAG2           ','SOAG3           ','SOAG4           ','ST80_25         ','SVOC            ', &
      68             :                         'TEPOMUC         ','TERP2OOH        ','TERPNIT         ','TERPOOH         ','TERPROD1        ', &
      69             :                         'TERPROD2        ','TOLOOH          ','TOLUENE         ','XOOH            ','XYLENES         ', &
      70             :                         'XYLENOOH        ','XYLOL           ','XYLOLOOH        ','NHDEP           ','NDEP            ', &
      71             :                         'ACBZO2          ','ALKO2           ','BCARYO2VBS      ','BENZO2          ','BENZO2VBS       ', &
      72             :                         'BZOO            ','C2H5O2          ','C3H7O2          ','C6H5O2          ','CH3CO3          ', &
      73             :                         'CH3O2           ','DICARBO2        ','ENEO2           ','EO              ','EO2             ', &
      74             :                         'HO2             ','HOCH2OO         ','ISOPAO2         ','ISOPBO2         ','ISOPO2VBS       ', &
      75             :                         'IVOCO2VBS       ','MACRO2          ','MALO2           ','MCO3            ','MDIALO2         ', &
      76             :                         'MEKO2           ','MTERPO2VBS      ','NTERPO2         ','O1D             ','OH              ', &
      77             :                         'PHENO2          ','PO2             ','RO2             ','TERP2O2         ','TERPO2          ', &
      78             :                         'TOLO2           ','TOLUO2VBS       ','XO2             ','XYLENO2         ','XYLEO2VBS       ', &
      79      311808 :                         'XYLOLO2         ','H2O             ' /)
      80             : 
      81             :       adv_mass(:202) = (/   133.141340_r8,   104.142600_r8,    28.010400_r8,   204.342600_r8,    78.110400_r8, &
      82             :                             160.122200_r8,   126.108600_r8,    98.098200_r8,    84.072400_r8,    98.098200_r8, &
      83             :                              98.098200_r8,   112.124000_r8,    72.143800_r8,    56.103200_r8,    79.904000_r8, &
      84             :                             115.356700_r8,    95.903400_r8,   141.908940_r8,    99.716850_r8,   106.120800_r8, &
      85             :                             124.135000_r8,    26.036800_r8,    28.051600_r8,    46.065800_r8,    62.065200_r8, &
      86             :                              30.066400_r8,    42.077400_r8,    76.091000_r8,    44.092200_r8,   110.109200_r8, &
      87             :                             153.821800_r8,   165.364506_r8,   148.910210_r8,   137.367503_r8,   187.375310_r8, &
      88             :                             170.921013_r8,   154.466716_r8,   120.913206_r8,   173.833800_r8,    30.025200_r8, &
      89             :                              94.937200_r8,   133.402300_r8,    44.051000_r8,    50.485900_r8,    41.050940_r8, &
      90             :                              58.076800_r8,    72.061400_r8,    60.050400_r8,    76.049800_r8,    32.040000_r8, &
      91             :                              48.039400_r8,    16.040600_r8,   252.730400_r8,    35.452700_r8,    70.905400_r8, &
      92             :                             102.904200_r8,    51.452100_r8,    97.457640_r8,   100.916850_r8,    28.010400_r8, &
      93             :                              44.009800_r8,    66.007206_r8,    82.461503_r8,   108.135600_r8,    62.132400_r8, &
      94             :                              28.010400_r8,    78.064600_r8,    18.998403_r8,    60.050400_r8,    58.035600_r8, &
      95             :                               1.007400_r8,     2.014800_r8,   259.823613_r8,    34.013600_r8,    98.078400_r8, &
      96             :                              80.911400_r8,   116.948003_r8,   100.493706_r8,    86.467906_r8,    36.460100_r8, &
      97             :                              27.025140_r8,    46.024600_r8,    20.005803_r8,    63.012340_r8,    79.011740_r8, &
      98             :                              96.910800_r8,    52.459500_r8,   135.114940_r8,   116.112400_r8,    74.076200_r8, &
      99             :                             100.113000_r8,   118.127200_r8,    68.114200_r8,   147.125940_r8,   147.125940_r8, &
     100             :                             162.117940_r8,   163.125340_r8,   118.127200_r8,   184.350200_r8,    70.087800_r8, &
     101             :                             120.100800_r8,    72.102600_r8,   104.101400_r8,   147.084740_r8,   136.228400_r8, &
     102             :                              70.087800_r8,    14.006740_r8,    44.012880_r8,   108.010480_r8,   147.125940_r8, &
     103             :                             145.111140_r8,    17.028940_r8,    18.036340_r8,    28.010400_r8,    28.010400_r8, &
     104             :                              30.006140_r8,    46.005540_r8,    62.004940_r8,   119.074340_r8,   231.239540_r8, &
     105             :                              15.999400_r8,    47.998200_r8,    47.998200_r8,    67.451500_r8,    60.076400_r8, &
     106             :                             133.100140_r8,   121.047940_r8,   183.117740_r8,    93.102400_r8,    94.109800_r8, &
     107             :                             176.121600_r8,    92.090400_r8,    90.075600_r8,    32.066000_r8,   146.056419_r8, &
     108             :                              48.065400_r8,    64.064800_r8,    80.064200_r8,   250.445000_r8,   250.445000_r8, &
     109             :                             250.445000_r8,   250.445000_r8,   250.445000_r8,    28.010400_r8,   310.582400_r8, &
     110             :                             140.134400_r8,   200.226000_r8,   215.240140_r8,   186.241400_r8,   168.227200_r8, &
     111             :                             154.201400_r8,   174.148000_r8,    92.136200_r8,   150.126000_r8,   106.162000_r8, &
     112             :                             188.173800_r8,   122.161400_r8,   204.173200_r8,    14.006740_r8,    14.006740_r8, &
     113             :                             137.112200_r8,   103.135200_r8,   253.348200_r8,   159.114800_r8,   159.114800_r8, &
     114             :                             123.127600_r8,    61.057800_r8,    75.083600_r8,   109.101800_r8,    75.042400_r8, &
     115             :                              47.032000_r8,   129.089600_r8,   105.108800_r8,    61.057800_r8,    77.057200_r8, &
     116             :                              33.006200_r8,    63.031400_r8,   117.119800_r8,   117.119800_r8,   117.119800_r8, &
     117             :                             233.355800_r8,   119.093400_r8,   115.063800_r8,   101.079200_r8,   117.078600_r8, &
     118             :                             103.094000_r8,   185.234000_r8,   230.232140_r8,    15.999400_r8,    17.006800_r8, &
     119             :                             175.114200_r8,    91.083000_r8,    89.068200_r8,   199.218600_r8,   185.234000_r8, &
     120             :                             173.140600_r8,   173.140600_r8,   149.118600_r8,   187.166400_r8,   187.166400_r8, &
     121        1536 :                             203.165800_r8,    18.014200_r8 /)
     122             : 
     123             :       crb_mass(:202) = (/    60.055000_r8,    60.055000_r8,    12.011000_r8,   180.165000_r8,    72.066000_r8, &
     124             :                              72.066000_r8,    72.066000_r8,    60.055000_r8,    48.044000_r8,    60.055000_r8, &
     125             :                              60.055000_r8,    72.066000_r8,    60.055000_r8,    48.044000_r8,     0.000000_r8, &
     126             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,    84.077000_r8, &
     127             :                              84.077000_r8,    24.022000_r8,    24.022000_r8,    24.022000_r8,    24.022000_r8, &
     128             :                              24.022000_r8,    36.033000_r8,    36.033000_r8,    36.033000_r8,    72.066000_r8, &
     129             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8,    24.022000_r8, &
     130             :                              24.022000_r8,    24.022000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8, &
     131             :                              12.011000_r8,    24.022000_r8,    24.022000_r8,    12.011000_r8,    24.022000_r8, &
     132             :                              36.033000_r8,    36.033000_r8,    24.022000_r8,    24.022000_r8,    12.011000_r8, &
     133             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8, &
     134             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8,    12.011000_r8, &
     135             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,    84.077000_r8,    24.022000_r8, &
     136             :                              12.011000_r8,    24.022000_r8,     0.000000_r8,    24.022000_r8,    24.022000_r8, &
     137             :                               0.000000_r8,     0.000000_r8,    24.022000_r8,     0.000000_r8,     0.000000_r8, &
     138             :                               0.000000_r8,    24.022000_r8,    24.022000_r8,    12.011000_r8,     0.000000_r8, &
     139             :                              12.011000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     140             :                               0.000000_r8,     0.000000_r8,    48.044000_r8,    60.055000_r8,    36.033000_r8, &
     141             :                              60.055000_r8,    60.055000_r8,    60.055000_r8,    60.055000_r8,    60.055000_r8, &
     142             :                              60.055000_r8,    60.055000_r8,    60.055000_r8,   156.143000_r8,    48.044000_r8, &
     143             :                              48.044000_r8,    48.044000_r8,    48.044000_r8,    48.044000_r8,   120.110000_r8, &
     144             :                              48.044000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,    60.055000_r8, &
     145             :                              60.055000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8,    12.011000_r8, &
     146             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,    36.033000_r8,   120.110000_r8, &
     147             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8, &
     148             :                              48.044000_r8,    24.022000_r8,    84.077000_r8,    72.066000_r8,    72.066000_r8, &
     149             :                              72.066000_r8,    36.033000_r8,    36.033000_r8,     0.000000_r8,     0.000000_r8, &
     150             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,   180.165000_r8,   180.165000_r8, &
     151             :                             180.165000_r8,   180.165000_r8,   180.165000_r8,    12.011000_r8,   264.242000_r8, &
     152             :                              84.077000_r8,   120.110000_r8,   120.110000_r8,   120.110000_r8,   120.110000_r8, &
     153             :                             108.099000_r8,    84.077000_r8,    84.077000_r8,    60.055000_r8,    96.088000_r8, &
     154             :                              96.088000_r8,    96.088000_r8,    96.088000_r8,     0.000000_r8,     0.000000_r8, &
     155             :                              84.077000_r8,    60.055000_r8,   180.165000_r8,    72.066000_r8,    72.066000_r8, &
     156             :                              84.077000_r8,    24.022000_r8,    36.033000_r8,    72.066000_r8,    24.022000_r8, &
     157             :                              12.011000_r8,    60.055000_r8,    48.044000_r8,    24.022000_r8,    24.022000_r8, &
     158             :                               0.000000_r8,    12.011000_r8,    60.055000_r8,    60.055000_r8,    60.055000_r8, &
     159             :                             156.143000_r8,    48.044000_r8,    48.044000_r8,    48.044000_r8,    48.044000_r8, &
     160             :                              48.044000_r8,   120.110000_r8,   120.110000_r8,     0.000000_r8,     0.000000_r8, &
     161             :                              72.066000_r8,    36.033000_r8,    36.033000_r8,   120.110000_r8,   120.110000_r8, &
     162             :                              84.077000_r8,    84.077000_r8,    60.055000_r8,    96.088000_r8,    96.088000_r8, &
     163        1536 :                              96.088000_r8,     0.000000_r8 /)
     164             : 
     165        1536 :       fix_mass(:  3) = (/ 0.00000000_r8, 31.9988000_r8, 28.0134800_r8 /)
     166             : 
     167             :       clsmap(: 31,1) = (/    3,  19,  31,  32,  33,  34,  35,  36,  37,  38, &
     168             :                             39,  41,  42,  44,  52,  53,  59,  61,  66,  73, &
     169             :                             77,  78,  79, 108, 114, 115, 123, 135, 144, 159, &
     170       49152 :                            160 /)
     171             :       clsmap(:171,4) = (/    1,   2,   4,   5,   6,   7,   8,   9,  10,  11, &
     172             :                             12,  13,  14,  15,  16,  17,  18,  20,  21,  22, &
     173             :                             23,  24,  25,  26,  27,  28,  29,  30,  40,  43, &
     174             :                             45,  46,  47,  48,  49,  50,  51,  54,  55,  56, &
     175             :                             57,  58,  60,  62,  63,  64,  65,  67,  68,  69, &
     176             :                             70,  71,  72,  74,  75,  76,  80,  81,  82,  83, &
     177             :                             84,  85,  86,  87,  88,  89,  90,  91,  92,  93, &
     178             :                             94,  95,  96,  97,  98,  99, 100, 101, 102, 103, &
     179             :                            104, 105, 106, 107, 109, 110, 111, 112, 113, 116, &
     180             :                            117, 118, 119, 120, 121, 122, 124, 125, 126, 127, &
     181             :                            128, 129, 130, 131, 132, 133, 134, 136, 137, 138, &
     182             :                            139, 140, 141, 142, 143, 145, 146, 147, 148, 149, &
     183             :                            150, 151, 152, 153, 154, 155, 156, 157, 158, 161, &
     184             :                            162, 163, 164, 165, 166, 167, 168, 169, 170, 171, &
     185             :                            172, 173, 174, 175, 176, 177, 178, 179, 180, 181, &
     186             :                            182, 183, 184, 185, 186, 187, 188, 189, 190, 191, &
     187             :                            192, 193, 194, 195, 196, 197, 198, 199, 200, 201, &
     188      264192 :                            202 /)
     189             : 
     190             :       permute(:171,4) = (/  101, 100, 124,  26,  70,  27,  71,  76,  51,  97, &
     191             :                              59,  39,  61, 154,  42, 160,  86,  40,  58,  50, &
     192             :                              90,  43,  53,  49, 129,  69,  19,  44, 161, 134, &
     193             :                              16, 127, 146,  88,  84, 113,  67, 169,  25,  17, &
     194             :                             164, 128, 135,  20,  29,  32,  47,  21, 111, 131, &
     195             :                             122, 156, 143,  93,  22, 118, 168,  30, 115,  37, &
     196             :                             155,  62, 112, 116, 136,  38, 137,  52,  23, 119, &
     197             :                              94,  89, 144,  63, 107,  12, 145,  54,  83,  55, &
     198             :                              92, 125, 149,  64,  48,  65, 132,  18,   1, 165, &
     199             :                             167, 170, 121,  66, 162, 166,  56,  60,  41,  77, &
     200             :                              24,  78,  28,  57,  87,  68,  82, 147, 120,  45, &
     201             :                               2,   3,   4,   5,   6,   7,  33,  95,  98,  79, &
     202             :                             130, 133,  96,  31,  34,  35, 103,  36,  72,  85, &
     203             :                             126,   8,  80,   9,  73, 117, 114,  99, 153, 157, &
     204             :                             109,  91,  46, 104, 163,  74, 151, 148,  10,  11, &
     205             :                             150, 105, 152, 123, 102,  13, 140, 158, 159,  75, &
     206             :                             110, 141, 139, 138, 106,  14, 142, 108,  15,  81, &
     207      264192 :                             171 /)
     208             : 
     209             :       diag_map(:171) = (/    1,   2,   3,   4,   5,   6,  12,  18,  24,  30, &
     210             :                             36,  38,  44,  50,  56,  57,  60,  63,  66,  70, &
     211             :                             73,  76,  79,  82,  85,  88,  94,  98, 103, 107, &
     212             :                            112, 119, 124, 128, 133, 141, 146, 149, 154, 157, &
     213             :                            160, 163, 166, 170, 175, 179, 183, 189, 195, 201, &
     214             :                            207, 210, 213, 218, 223, 228, 233, 239, 244, 249, &
     215             :                            257, 265, 271, 277, 283, 289, 295, 301, 307, 313, &
     216             :                            319, 325, 333, 339, 346, 352, 355, 362, 366, 375, &
     217             :                            383, 390, 396, 401, 408, 414, 422, 430, 434, 442, &
     218             :                            450, 458, 466, 473, 482, 493, 502, 506, 514, 521, &
     219             :                            532, 543, 554, 567, 574, 585, 596, 609, 620, 629, &
     220             :                            639, 648, 656, 661, 671, 676, 686, 694, 706, 723, &
     221             :                            729, 736, 741, 759, 786, 808, 818, 826, 840, 855, &
     222             :                            864, 873, 885, 894, 903, 912, 925, 938, 960, 979, &
     223             :                            995,1011,1024,1044,1060,1072,1083,1113,1135,1157, &
     224             :                           1183,1202,1233,1247,1260,1273,1320,1344,1499,1524, &
     225             :                           1548,1579,1686,1713,1804,1865,1907,1931,1966,2024, &
     226        1536 :                           2050 /)
     227             : 
     228             :       extfrc_lst(:  6) = (/ 'CO              ','NO              ','NO2             ','SO2             ','AOA_NH          ', &
     229       10752 :                             'N               ' /)
     230             : 
     231             :       frc_from_dataset(:  6) = (/ .true., .true., .true., .true., .false., &
     232        1536 :                                   .false. /)
     233             : 
     234        6144 :       inv_lst(:  3) = (/ 'M               ', 'O2              ', 'N2              ' /)
     235             : 
     236             :       slvd_lst(: 41) = (/ 'ACBZO2          ', 'ALKO2           ', 'BCARYO2VBS      ', 'BENZO2          ', 'BENZO2VBS       ', &
     237             :                           'BZOO            ', 'C2H5O2          ', 'C3H7O2          ', 'C6H5O2          ', 'CH3CO3          ', &
     238             :                           'CH3O2           ', 'DICARBO2        ', 'ENEO2           ', 'EO              ', 'EO2             ', &
     239             :                           'HO2             ', 'HOCH2OO         ', 'ISOPAO2         ', 'ISOPBO2         ', 'ISOPO2VBS       ', &
     240             :                           'IVOCO2VBS       ', 'MACRO2          ', 'MALO2           ', 'MCO3            ', 'MDIALO2         ', &
     241             :                           'MEKO2           ', 'MTERPO2VBS      ', 'NTERPO2         ', 'O1D             ', 'OH              ', &
     242             :                           'PHENO2          ', 'PO2             ', 'RO2             ', 'TERP2O2         ', 'TERPO2          ', &
     243             :                           'TOLO2           ', 'TOLUO2VBS       ', 'XO2             ', 'XYLENO2         ', 'XYLEO2VBS       ', &
     244       64512 :                           'XYLOLO2         ' /)
     245             : 
     246        1536 :       if( allocated( rxt_tag_lst ) ) then
     247           0 :          deallocate( rxt_tag_lst )
     248             :       end if
     249        1536 :       allocate( rxt_tag_lst(rxt_tag_cnt),stat=ios )
     250        1536 :       if( ios /= 0 ) then
     251           0 :          write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_lst; error = ',ios
     252           0 :          call endrun
     253             :       end if
     254        1536 :       if( allocated( rxt_tag_map ) ) then
     255           0 :          deallocate( rxt_tag_map )
     256             :       end if
     257        1536 :       allocate( rxt_tag_map(rxt_tag_cnt),stat=ios )
     258        1536 :       if( ios /= 0 ) then
     259           0 :          write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_map; error = ',ios
     260           0 :          call endrun
     261             :       end if
     262        1536 :       rxt_tag_lst(     1:   200) = (/ 'jh2o_b                          ', 'jh2o_a                          ', &
     263             :                                       'jh2o_c                          ', 'jh2o2                           ', &
     264             :                                       'jo2_a                           ', 'jo2_b                           ', &
     265             :                                       'jo3_a                           ', 'jo3_b                           ', &
     266             :                                       'jhno3                           ', 'jho2no2_a                       ', &
     267             :                                       'jho2no2_b                       ', 'jn2o                            ', &
     268             :                                       'jn2o5_a                         ', 'jn2o5_b                         ', &
     269             :                                       'jno                             ', 'jno2                            ', &
     270             :                                       'jno3_b                          ', 'jno3_a                          ', &
     271             :                                       'jalknit                         ', 'jalkooh                         ', &
     272             :                                       'jbenzooh                        ', 'jbepomuc                        ', &
     273             :                                       'jbigald                         ', 'jbigald1                        ', &
     274             :                                       'jbigald2                        ', 'jbigald3                        ', &
     275             :                                       'jbigald4                        ', 'jbzooh                          ', &
     276             :                                       'jc2h5ooh                        ', 'jc3h7ooh                        ', &
     277             :                                       'jc6h5ooh                        ', 'jch2o_a                         ', &
     278             :                                       'jch2o_b                         ', 'jch3cho                         ', &
     279             :                                       'jacet                           ', 'jmgly                           ', &
     280             :                                       'jch3co3h                        ', 'jch3ooh                         ', &
     281             :                                       'jch4_a                          ', 'jch4_b                          ', &
     282             :                                       'jco2                            ', 'jeooh                           ', &
     283             :                                       'jglyald                         ', 'jglyoxal                        ', &
     284             :                                       'jhonitr                         ', 'jhpald                          ', &
     285             :                                       'jhyac                           ', 'jisopnooh                       ', &
     286             :                                       'jisopooh                        ', 'jmacr_a                         ', &
     287             :                                       'jmacr_b                         ', 'jmek                            ', &
     288             :                                       'jmekooh                         ', 'jmpan                           ', &
     289             :                                       'jmvk                            ', 'jnc4cho                         ', &
     290             :                                       'jnoa                            ', 'jnterpooh                       ', &
     291             :                                       'jonitr                          ', 'jpan                            ', &
     292             :                                       'jphenooh                        ', 'jpooh                           ', &
     293             :                                       'jrooh                           ', 'jtepomuc                        ', &
     294             :                                       'jterp2ooh                       ', 'jterpnit                        ', &
     295             :                                       'jterpooh                        ', 'jterprd1                        ', &
     296             :                                       'jterprd2                        ', 'jtolooh                         ', &
     297             :                                       'jxooh                           ', 'jxylenooh                       ', &
     298             :                                       'jxylolooh                       ', 'jbrcl                           ', &
     299             :                                       'jbro                            ', 'jbrono2_b                       ', &
     300             :                                       'jbrono2_a                       ', 'jccl4                           ', &
     301             :                                       'jcf2clbr                        ', 'jcf3br                          ', &
     302             :                                       'jcfcl3                          ', 'jcfc113                         ', &
     303             :                                       'jcfc114                         ', 'jcfc115                         ', &
     304             :                                       'jcf2cl2                         ', 'jch2br2                         ', &
     305             :                                       'jch3br                          ', 'jch3ccl3                        ', &
     306             :                                       'jch3cl                          ', 'jchbr3                          ', &
     307             :                                       'jcl2                            ', 'jcl2o2                          ', &
     308             :                                       'jclo                            ', 'jclono2_a                       ', &
     309             :                                       'jclono2_b                       ', 'jcof2                           ', &
     310             :                                       'jcofcl                          ', 'jh2402                          ', &
     311             :                                       'jhbr                            ', 'jhcfc141b                       ', &
     312             :                                       'jhcfc142b                       ', 'jhcfc22                         ', &
     313             :                                       'jhcl                            ', 'jhf                             ', &
     314             :                                       'jhobr                           ', 'jhocl                           ', &
     315             :                                       'joclo                           ', 'jsf6                            ', &
     316             :                                       'jh2so4                          ', 'jocs                            ', &
     317             :                                       'jso                             ', 'jso2                            ', &
     318             :                                       'jso3                            ', 'O1D_H2                          ', &
     319             :                                       'O1D_H2O                         ', 'O1D_N2                          ', &
     320             :                                       'O1D_O2ab                        ', 'O1D_O3                          ', &
     321             :                                       'O_O3                            ', 'usr_O_O                         ', &
     322             :                                       'usr_O_O2                        ', 'H2_O                            ', &
     323             :                                       'H2O2_O                          ', 'H_HO2                           ', &
     324             :                                       'H_HO2a                          ', 'H_HO2b                          ', &
     325             :                                       'H_O2                            ', 'HO2_O                           ', &
     326             :                                       'HO2_O3                          ', 'H_O3                            ', &
     327             :                                       'OH_H2                           ', 'OH_H2O2                         ', &
     328             :                                       'OH_HO2                          ', 'OH_O                            ', &
     329             :                                       'OH_O3                           ', 'OH_OH                           ', &
     330             :                                       'OH_OH_M                         ', 'usr_HO2_HO2                     ', &
     331             :                                       'HO2NO2_OH                       ', 'N_NO                            ', &
     332             :                                       'N_NO2a                          ', 'N_NO2b                          ', &
     333             :                                       'N_NO2c                          ', 'N_O2                            ', &
     334             :                                       'NO2_O                           ', 'NO2_O3                          ', &
     335             :                                       'NO2_O_M                         ', 'NO3_HO2                         ', &
     336             :                                       'NO3_NO                          ', 'NO3_O                           ', &
     337             :                                       'NO3_OH                          ', 'N_OH                            ', &
     338             :                                       'NO_HO2                          ', 'NO_O3                           ', &
     339             :                                       'NO_O_M                          ', 'O1D_N2Oa                        ', &
     340             :                                       'O1D_N2Ob                        ', 'tag_NO2_HO2                     ', &
     341             :                                       'tag_NO2_NO3                     ', 'tag_NO2_OH                      ', &
     342             :                                       'usr_HNO3_OH                     ', 'usr_HO2NO2_M                    ', &
     343             :                                       'usr_N2O5_M                      ', 'CL_CH2O                         ', &
     344             :                                       'CL_CH4                          ', 'CL_H2                           ', &
     345             :                                       'CL_H2O2                         ', 'CL_HO2a                         ', &
     346             :                                       'CL_HO2b                         ', 'CL_O3                           ', &
     347             :                                       'CLO_CH3O2                       ', 'CLO_CLOa                        ', &
     348             :                                       'CLO_CLOb                        ', 'CLO_CLOc                        ', &
     349             :                                       'CLO_HO2                         ', 'CLO_NO                          ', &
     350             :                                       'CLONO2_CL                       ', 'CLO_NO2_M                       ', &
     351             :                                       'CLONO2_O                        ', 'CLONO2_OH                       ', &
     352             :                                       'CLO_O                           ', 'CLO_OHa                         ', &
     353             :                                       'CLO_OHb                         ', 'HCL_O                           ', &
     354             :                                       'HCL_OH                          ', 'HOCL_CL                         ', &
     355             :                                       'HOCL_O                          ', 'HOCL_OH                         ', &
     356             :                                       'O1D_CCL4                        ', 'O1D_CF2CLBR                     ', &
     357             :                                       'O1D_CFC11                       ', 'O1D_CFC113                      ', &
     358             :                                       'O1D_CFC114                      ', 'O1D_CFC115                      ', &
     359             :                                       'O1D_CFC12                       ', 'O1D_HCLa                        ', &
     360             :                                       'O1D_HCLb                        ', 'tag_CLO_CLO_M                   ', &
     361      310272 :                                       'usr_CL2O2_M                     ', 'BR_CH2O                         ' /)
     362        1536 :       rxt_tag_lst(   201:   400) = (/ 'BR_HO2                          ', 'BR_O3                           ', &
     363             :                                       'BRO_BRO                         ', 'BRO_CLOa                        ', &
     364             :                                       'BRO_CLOb                        ', 'BRO_CLOc                        ', &
     365             :                                       'BRO_HO2                         ', 'BRO_NO                          ', &
     366             :                                       'BRO_NO2_M                       ', 'BRONO2_O                        ', &
     367             :                                       'BRO_O                           ', 'BRO_OH                          ', &
     368             :                                       'HBR_O                           ', 'HBR_OH                          ', &
     369             :                                       'HOBR_O                          ', 'O1D_CF3BR                       ', &
     370             :                                       'O1D_CHBR3                       ', 'O1D_H2402                       ', &
     371             :                                       'O1D_HBRa                        ', 'O1D_HBRb                        ', &
     372             :                                       'F_CH4                           ', 'F_H2                            ', &
     373             :                                       'F_H2O                           ', 'F_HNO3                          ', &
     374             :                                       'O1D_COF2                        ', 'O1D_COFCL                       ', &
     375             :                                       'CH2BR2_CL                       ', 'CH2BR2_OH                       ', &
     376             :                                       'CH3BR_CL                        ', 'CH3BR_OH                        ', &
     377             :                                       'CH3CCL3_OH                      ', 'CH3CL_CL                        ', &
     378             :                                       'CH3CL_OH                        ', 'CHBR3_CL                        ', &
     379             :                                       'CHBR3_OH                        ', 'HCFC141B_OH                     ', &
     380             :                                       'HCFC142B_OH                     ', 'HCFC22_OH                       ', &
     381             :                                       'O1D_CH2BR2                      ', 'O1D_CH3BR                       ', &
     382             :                                       'O1D_HCFC141B                    ', 'O1D_HCFC142B                    ', &
     383             :                                       'O1D_HCFC22                      ', 'CH2O_HO2                        ', &
     384             :                                       'CH2O_NO3                        ', 'CH2O_O                          ', &
     385             :                                       'CH2O_OH                         ', 'CH3O2_CH3O2a                    ', &
     386             :                                       'CH3O2_CH3O2b                    ', 'CH3O2_HO2                       ', &
     387             :                                       'CH3O2_NO                        ', 'CH3OH_OH                        ', &
     388             :                                       'CH3OOH_OH                       ', 'CH4_OH                          ', &
     389             :                                       'CO_OH_M                         ', 'HCN_OH                          ', &
     390             :                                       'HCOOH_OH                        ', 'HOCH2OO_HO2                     ', &
     391             :                                       'HOCH2OO_M                       ', 'HOCH2OO_NO                      ', &
     392             :                                       'O1D_CH4a                        ', 'O1D_CH4b                        ', &
     393             :                                       'O1D_CH4c                        ', 'O1D_HCN                         ', &
     394             :                                       'usr_CO_OH_b                     ', 'C2H2_CL_M                       ', &
     395             :                                       'C2H2_OH_M                       ', 'C2H4_CL_M                       ', &
     396             :                                       'C2H4_O3                         ', 'C2H5O2_C2H5O2                   ', &
     397             :                                       'C2H5O2_CH3O2                    ', 'C2H5O2_HO2                      ', &
     398             :                                       'C2H5O2_NO                       ', 'C2H5OH_OH                       ', &
     399             :                                       'C2H5OOH_OH                      ', 'C2H6_CL                         ', &
     400             :                                       'C2H6_OH                         ', 'CH3CHO_NO3                      ', &
     401             :                                       'CH3CHO_OH                       ', 'CH3CN_OH                        ', &
     402             :                                       'CH3CO3_CH3CO3                   ', 'CH3CO3_CH3O2                    ', &
     403             :                                       'CH3CO3_HO2                      ', 'CH3CO3_NO                       ', &
     404             :                                       'CH3COOH_OH                      ', 'CH3COOOH_OH                     ', &
     405             :                                       'EO2_HO2                         ', 'EO2_NO                          ', &
     406             :                                       'EO_M                            ', 'EO_O2                           ', &
     407             :                                       'GLYALD_OH                       ', 'GLYOXAL_OH                      ', &
     408             :                                       'PAN_OH                          ', 'tag_C2H4_OH                     ', &
     409             :                                       'tag_CH3CO3_NO2                  ', 'usr_PAN_M                       ', &
     410             :                                       'C3H6_NO3                        ', 'C3H6_O3                         ', &
     411             :                                       'C3H7O2_CH3O2                    ', 'C3H7O2_HO2                      ', &
     412             :                                       'C3H7O2_NO                       ', 'C3H7OOH_OH                      ', &
     413             :                                       'C3H8_OH                         ', 'CH3COCHO_NO3                    ', &
     414             :                                       'CH3COCHO_OH                     ', 'HYAC_OH                         ', &
     415             :                                       'NOA_OH                          ', 'PO2_HO2                         ', &
     416             :                                       'PO2_NO                          ', 'POOH_OH                         ', &
     417             :                                       'RO2_CH3O2                       ', 'RO2_HO2                         ', &
     418             :                                       'RO2_NO                          ', 'ROOH_OH                         ', &
     419             :                                       'tag_C3H6_OH                     ', 'usr_CH3COCH3_OH                 ', &
     420             :                                       'BIGENE_NO3                      ', 'BIGENE_OH                       ', &
     421             :                                       'ENEO2_NO                        ', 'ENEO2_NOb                       ', &
     422             :                                       'HONITR_OH                       ', 'MACRO2_CH3CO3                   ', &
     423             :                                       'MACRO2_CH3O2                    ', 'MACRO2_HO2                      ', &
     424             :                                       'MACRO2_NO3                      ', 'MACRO2_NOa                      ', &
     425             :                                       'MACRO2_NOb                      ', 'MACR_O3                         ', &
     426             :                                       'MACR_OH                         ', 'MACROOH_OH                      ', &
     427             :                                       'MCO3_CH3CO3                     ', 'MCO3_CH3O2                      ', &
     428             :                                       'MCO3_HO2                        ', 'MCO3_MCO3                       ', &
     429             :                                       'MCO3_NO                         ', 'MCO3_NO3                        ', &
     430             :                                       'MEKO2_HO2                       ', 'MEKO2_NO                        ', &
     431             :                                       'MEK_OH                          ', 'MEKOOH_OH                       ', &
     432             :                                       'MPAN_OH_M                       ', 'MVK_O3                          ', &
     433             :                                       'MVK_OH                          ', 'usr_MCO3_NO2                    ', &
     434             :                                       'usr_MPAN_M                      ', 'ALKNIT_OH                       ', &
     435             :                                       'ALKO2_HO2                       ', 'ALKO2_NO                        ', &
     436             :                                       'ALKO2_NOb                       ', 'ALKOOH_OH                       ', &
     437             :                                       'BIGALK_OH                       ', 'HPALD_OH                        ', &
     438             :                                       'HYDRALD_OH                      ', 'IEPOX_OH                        ', &
     439             :                                       'ISOPAO2_CH3CO3                  ', 'ISOPAO2_CH3O2                   ', &
     440             :                                       'ISOPAO2_HO2                     ', 'ISOPAO2_NO                      ', &
     441             :                                       'ISOPAO2_NO3                     ', 'ISOPBO2_CH3CO3                  ', &
     442             :                                       'ISOPBO2_CH3O2                   ', 'ISOPBO2_HO2                     ', &
     443             :                                       'ISOPBO2_M                       ', 'ISOPBO2_NO                      ', &
     444             :                                       'ISOPBO2_NO3                     ', 'ISOPNITA_OH                     ', &
     445             :                                       'ISOPNITB_OH                     ', 'ISOP_NO3                        ', &
     446             :                                       'ISOPNO3_CH3CO3                  ', 'ISOPNO3_CH3O2                   ', &
     447             :                                       'ISOPNO3_HO2                     ', 'ISOPNO3_NO                      ', &
     448             :                                       'ISOPNO3_NO3                     ', 'ISOPNOOH_OH                     ', &
     449             :                                       'ISOP_O3                         ', 'ISOP_OH                         ', &
     450             :                                       'ISOPOOH_OH                      ', 'NC4CH2OH_OH                     ', &
     451             :                                       'NC4CHO_OH                       ', 'XO2_CH3CO3                      ', &
     452             :                                       'XO2_CH3O2                       ', 'XO2_HO2                         ', &
     453             :                                       'XO2_NO                          ', 'XO2_NO3                         ', &
     454             :                                       'XOOH_OH                         ', 'ACBZO2_HO2                      ', &
     455             :                                       'ACBZO2_NO                       ', 'BENZENE_OH                      ', &
     456             :                                       'BENZO2_HO2                      ', 'BENZO2_NO                       ', &
     457             :                                       'BENZOOH_OH                      ', 'BZALD_OH                        ', &
     458             :                                       'BZOO_HO2                        ', 'BZOOH_OH                        ', &
     459             :                                       'BZOO_NO                         ', 'C6H5O2_HO2                      ', &
     460             :                                       'C6H5O2_NO                       ', 'C6H5OOH_OH                      ', &
     461      310272 :                                       'CRESOL_OH                       ', 'DICARBO2_HO2                    ' /)
     462        1536 :       rxt_tag_lst(   401:   532) = (/ 'DICARBO2_NO                     ', 'DICARBO2_NO2                    ', &
     463             :                                       'MALO2_HO2                       ', 'MALO2_NO                        ', &
     464             :                                       'MALO2_NO2                       ', 'MDIALO2_HO2                     ', &
     465             :                                       'MDIALO2_NO                      ', 'MDIALO2_NO2                     ', &
     466             :                                       'PHENO2_HO2                      ', 'PHENO2_NO                       ', &
     467             :                                       'PHENOL_OH                       ', 'PHENO_NO2                       ', &
     468             :                                       'PHENO_O3                        ', 'PHENOOH_OH                      ', &
     469             :                                       'tag_ACBZO2_NO2                  ', 'TOLO2_HO2                       ', &
     470             :                                       'TOLO2_NO                        ', 'TOLOOH_OH                       ', &
     471             :                                       'TOLUENE_OH                      ', 'usr_PBZNIT_M                    ', &
     472             :                                       'XYLENES_OH                      ', 'XYLENO2_HO2                     ', &
     473             :                                       'XYLENO2_NO                      ', 'XYLENOOH_OH                     ', &
     474             :                                       'XYLOLO2_HO2                     ', 'XYLOLO2_NO                      ', &
     475             :                                       'XYLOL_OH                        ', 'XYLOLOOH_OH                     ', &
     476             :                                       'BCARY_NO3                       ', 'BCARY_O3                        ', &
     477             :                                       'BCARY_OH                        ', 'MTERP_NO3                       ', &
     478             :                                       'MTERP_O3                        ', 'MTERP_OH                        ', &
     479             :                                       'NTERPO2_CH3O2                   ', 'NTERPO2_HO2                     ', &
     480             :                                       'NTERPO2_NO                      ', 'NTERPO2_NO3                     ', &
     481             :                                       'NTERPOOH_OH                     ', 'TERP2O2_CH3O2                   ', &
     482             :                                       'TERP2O2_HO2                     ', 'TERP2O2_NO                      ', &
     483             :                                       'TERP2OOH_OH                     ', 'TERPNIT_OH                      ', &
     484             :                                       'TERPO2_CH3O2                    ', 'TERPO2_HO2                      ', &
     485             :                                       'TERPO2_NO                       ', 'TERPOOH_OH                      ', &
     486             :                                       'TERPROD1_NO3                    ', 'TERPROD1_OH                     ', &
     487             :                                       'TERPROD2_OH                     ', 'DMS_NO3                         ', &
     488             :                                       'DMS_OHa                         ', 'OCS_O                           ', &
     489             :                                       'OCS_OH                          ', 'S_O2                            ', &
     490             :                                       'S_O3                            ', 'SO_BRO                          ', &
     491             :                                       'SO_CLO                          ', 'S_OH                            ', &
     492             :                                       'SO_NO2                          ', 'SO_O2                           ', &
     493             :                                       'SO_O3                           ', 'SO_OCLO                         ', &
     494             :                                       'SO_OH                           ', 'usr_DMS_OH                      ', &
     495             :                                       'usr_SO2_OH                      ', 'usr_SO3_H2O                     ', &
     496             :                                       'NH3_OH                          ', 'usr_GLYOXAL_aer                 ', &
     497             :                                       'usr_HO2_aer                     ', 'usr_HONITR_aer                  ', &
     498             :                                       'usr_ISOPNITA_aer                ', 'usr_ISOPNITB_aer                ', &
     499             :                                       'usr_N2O5_aer                    ', 'usr_NC4CH2OH_aer                ', &
     500             :                                       'usr_NC4CHO_aer                  ', 'usr_NH4_strat_tau               ', &
     501             :                                       'usr_NO2_aer                     ', 'usr_NO3_aer                     ', &
     502             :                                       'usr_NTERPOOH_aer                ', 'usr_ONITR_aer                   ', &
     503             :                                       'usr_TERPNIT_aer                 ', 'BCARY_NO3_vbs                   ', &
     504             :                                       'BCARYO2_HO2_vbs                 ', 'BCARYO2_NO_vbs                  ', &
     505             :                                       'BCARY_O3_vbs                    ', 'BCARY_OH_vbs                    ', &
     506             :                                       'BENZENE_OH_vbs                  ', 'BENZO2_HO2_vbs                  ', &
     507             :                                       'BENZO2_NO_vbs                   ', 'ISOP_NO3_vbs                    ', &
     508             :                                       'ISOPO2_HO2_vbs                  ', 'ISOPO2_NO_vbs                   ', &
     509             :                                       'ISOP_O3_vbs                     ', 'ISOP_OH_vbs                     ', &
     510             :                                       'IVOCO2_HO2_vbs                  ', 'IVOCO2_NO_vbs                   ', &
     511             :                                       'IVOC_OH_vbs                     ', 'MTERP_NO3_vbs                   ', &
     512             :                                       'MTERPO2_HO2_vbs                 ', 'MTERPO2_NO_vbs                  ', &
     513             :                                       'MTERP_O3_vbs                    ', 'MTERP_OH_vbs                    ', &
     514             :                                       'SVOC_OH                         ', 'TOLUENE_OH_vbs                  ', &
     515             :                                       'TOLUO2_HO2_vbs                  ', 'TOLUO2_NO_vbs                   ', &
     516             :                                       'XYLENES_OH_vbs                  ', 'XYLEO2_HO2_vbs                  ', &
     517             :                                       'XYLEO2_NO_vbs                   ', 'het1                            ', &
     518             :                                       'het10                           ', 'het11                           ', &
     519             :                                       'het12                           ', 'het13                           ', &
     520             :                                       'het14                           ', 'het15                           ', &
     521             :                                       'het16                           ', 'het17                           ', &
     522             :                                       'het2                            ', 'het3                            ', &
     523             :                                       'het4                            ', 'het5                            ', &
     524             :                                       'het6                            ', 'het7                            ', &
     525             :                                       'het8                            ', 'het9                            ', &
     526             :                                       'E90_tau                         ', 'NH_50_tau                       ', &
     527      205824 :                                       'NH_5_tau                        ', 'ST80_25_tau                     ' /)
     528           0 :       rxt_tag_map(:rxt_tag_cnt) = (/    1,   2,   3,   4,   5,   6,   7,   8,   9,  10, &
     529             :                                        11,  12,  13,  14,  15,  16,  17,  18,  19,  20, &
     530             :                                        21,  22,  23,  24,  25,  26,  27,  28,  29,  30, &
     531             :                                        31,  32,  33,  34,  35,  36,  37,  38,  39,  40, &
     532             :                                        41,  42,  43,  44,  45,  46,  47,  48,  49,  50, &
     533             :                                        51,  52,  53,  54,  55,  56,  57,  58,  59,  60, &
     534             :                                        61,  62,  63,  64,  65,  66,  67,  68,  69,  70, &
     535             :                                        71,  72,  73,  74,  75,  76,  77,  78,  79,  80, &
     536             :                                        81,  82,  83,  84,  85,  86,  87,  88,  89,  90, &
     537             :                                        91,  92,  93,  94,  95,  96,  97,  98,  99, 100, &
     538             :                                       101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
     539             :                                       111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
     540             :                                       121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
     541             :                                       131, 132, 133, 134, 135, 136, 137, 138, 139, 140, &
     542             :                                       141, 142, 143, 144, 145, 146, 147, 148, 149, 150, &
     543             :                                       151, 152, 153, 154, 155, 156, 157, 158, 159, 160, &
     544             :                                       161, 162, 163, 164, 165, 166, 167, 168, 169, 170, &
     545             :                                       171, 172, 173, 174, 175, 176, 177, 178, 179, 180, &
     546             :                                       181, 182, 183, 184, 185, 186, 187, 188, 189, 190, &
     547             :                                       191, 192, 193, 194, 195, 196, 197, 198, 199, 200, &
     548             :                                       201, 202, 203, 204, 205, 206, 207, 208, 209, 210, &
     549             :                                       211, 212, 213, 214, 215, 216, 217, 218, 219, 220, &
     550             :                                       221, 222, 223, 224, 225, 226, 227, 228, 229, 230, &
     551             :                                       231, 232, 233, 234, 235, 236, 237, 238, 239, 240, &
     552             :                                       241, 242, 243, 244, 245, 246, 247, 248, 249, 250, &
     553             :                                       251, 252, 253, 254, 255, 256, 257, 258, 259, 260, &
     554             :                                       261, 262, 263, 264, 265, 266, 267, 268, 269, 270, &
     555             :                                       271, 272, 273, 274, 275, 276, 277, 278, 279, 280, &
     556             :                                       281, 282, 283, 284, 285, 286, 287, 288, 289, 290, &
     557             :                                       291, 292, 293, 294, 295, 296, 297, 298, 299, 300, &
     558             :                                       301, 302, 303, 304, 305, 306, 307, 308, 309, 310, &
     559             :                                       311, 312, 313, 314, 315, 316, 317, 318, 319, 320, &
     560             :                                       321, 322, 323, 324, 325, 326, 327, 328, 329, 330, &
     561             :                                       331, 332, 333, 334, 335, 336, 337, 338, 339, 340, &
     562             :                                       341, 342, 343, 344, 345, 346, 347, 348, 349, 350, &
     563             :                                       351, 352, 353, 354, 355, 356, 357, 358, 359, 360, &
     564             :                                       361, 362, 363, 364, 365, 366, 367, 368, 369, 370, &
     565             :                                       371, 372, 373, 374, 375, 376, 377, 378, 379, 380, &
     566             :                                       381, 382, 383, 384, 385, 386, 387, 388, 389, 390, &
     567             :                                       391, 392, 393, 394, 395, 396, 397, 398, 399, 400, &
     568             :                                       401, 402, 403, 404, 405, 406, 407, 408, 409, 410, &
     569             :                                       411, 412, 413, 414, 415, 416, 417, 418, 419, 420, &
     570             :                                       421, 422, 423, 424, 425, 426, 427, 428, 429, 430, &
     571             :                                       431, 432, 433, 434, 435, 436, 437, 438, 439, 440, &
     572             :                                       441, 442, 443, 444, 445, 446, 447, 448, 449, 450, &
     573             :                                       451, 452, 453, 454, 455, 456, 457, 458, 459, 460, &
     574             :                                       461, 462, 463, 464, 465, 466, 467, 468, 469, 470, &
     575             :                                       471, 472, 473, 474, 475, 476, 477, 478, 479, 480, &
     576             :                                       481, 482, 483, 484, 485, 486, 487, 488, 489, 490, &
     577             :                                       491, 492, 493, 494, 495, 496, 497, 498, 499, 500, &
     578             :                                       501, 502, 503, 504, 505, 506, 507, 508, 509, 510, &
     579             :                                       511, 512, 513, 514, 515, 516, 517, 518, 519, 520, &
     580             :                                       521, 522, 523, 524, 525, 526, 527, 528, 529, 530, &
     581      820224 :                                       531, 532 /)
     582        1536 :       if( allocated( pht_alias_lst ) ) then
     583           0 :          deallocate( pht_alias_lst )
     584             :       end if
     585        1536 :       allocate( pht_alias_lst(phtcnt,2),stat=ios )
     586        1536 :       if( ios /= 0 ) then
     587           0 :          write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_lst; error = ',ios
     588           0 :          call endrun
     589             :       end if
     590        1536 :       if( allocated( pht_alias_mult ) ) then
     591           0 :          deallocate( pht_alias_mult )
     592             :       end if
     593        1536 :       allocate( pht_alias_mult(phtcnt,2),stat=ios )
     594        1536 :       if( ios /= 0 ) then
     595           0 :          write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_mult; error = ',ios
     596           0 :          call endrun
     597             :       end if
     598           0 :       pht_alias_lst(:,1) = (/ '                ', '                ', '                ', '                ', &
     599             :                               'userdefined     ', 'userdefined     ', '                ', '                ', &
     600             :                               '                ', '                ', '                ', '                ', &
     601             :                               '                ', '                ', 'userdefined     ', '                ', &
     602             :                               '                ', '                ', '                ', '                ', &
     603             :                               '                ', '                ', '                ', '                ', &
     604             :                               '                ', '                ', '                ', '                ', &
     605             :                               '                ', '                ', '                ', '                ', &
     606             :                               '                ', '                ', '                ', '                ', &
     607             :                               '                ', '                ', '                ', '                ', &
     608             :                               '                ', '                ', '                ', '                ', &
     609             :                               '                ', '                ', '                ', '                ', &
     610             :                               '                ', '                ', '                ', '                ', &
     611             :                               '                ', '                ', '                ', '                ', &
     612             :                               '                ', '                ', '                ', '                ', &
     613             :                               '                ', '                ', '                ', '                ', &
     614             :                               '                ', '                ', '                ', '                ', &
     615             :                               '                ', '                ', '                ', '                ', &
     616             :                               '                ', '                ', '                ', '                ', &
     617             :                               '                ', '                ', '                ', '                ', &
     618             :                               '                ', '                ', '                ', '                ', &
     619             :                               '                ', '                ', '                ', '                ', &
     620             :                               '                ', '                ', '                ', '                ', &
     621             :                               '                ', '                ', '                ', '                ', &
     622             :                               '                ', '                ', '                ', '                ', &
     623             :                               '                ', '                ', '                ', '                ', &
     624             :                               '                ', '                ', '                ', '                ', &
     625             :                               '                ', '                ', '                ', '                ', &
     626      175104 :                               '                ' /)
     627           0 :       pht_alias_lst(:,2) = (/ '                ', '                ', '                ', '                ', &
     628             :                               '                ', '                ', '                ', '                ', &
     629             :                               '                ', '                ', '                ', '                ', &
     630             :                               '                ', '                ', '                ', '                ', &
     631             :                               '                ', '                ', 'jch3ooh         ', 'jch3ooh         ', &
     632             :                               'jch3ooh         ', 'jno2            ', 'jno2            ', 'jno2            ', &
     633             :                               'jno2            ', 'jno2            ', 'jno2            ', 'jch3ooh         ', &
     634             :                               'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', '                ', &
     635             :                               '                ', '                ', '                ', '                ', &
     636             :                               'jh2o2           ', '                ', '                ', '                ', &
     637             :                               '                ', 'jch3ooh         ', '                ', 'jmgly           ', &
     638             :                               'jch2o_a         ', 'jno2            ', '                ', 'jch3ooh         ', &
     639             :                               'jch3ooh         ', '                ', '                ', 'jacet           ', &
     640             :                               'jch3ooh         ', 'jpan            ', '                ', 'jch2o_a         ', &
     641             :                               'jch2o_a         ', 'jch3ooh         ', 'jch3cho         ', '                ', &
     642             :                               'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', 'jno2            ', &
     643             :                               'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', 'jch3cho         ', &
     644             :                               'jch3cho         ', 'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', &
     645             :                               'jch3ooh         ', '                ', '                ', '                ', &
     646             :                               '                ', '                ', '                ', '                ', &
     647             :                               '                ', '                ', '                ', '                ', &
     648             :                               '                ', '                ', '                ', '                ', &
     649             :                               '                ', '                ', '                ', '                ', &
     650             :                               '                ', '                ', '                ', '                ', &
     651             :                               '                ', '                ', '                ', '                ', &
     652             :                               '                ', '                ', '                ', '                ', &
     653             :                               '                ', '                ', '                ', '                ', &
     654             :                               '                ', '                ', '                ', '                ', &
     655      175104 :                               '                ' /)
     656           0 :       pht_alias_mult(:,1) = (/ 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             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     666             :                           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      175104 :                           1._r8, 1._r8, 1._r8 /)
     679           0 :       pht_alias_mult(:,2) = (/ 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, .10_r8, 0.2_r8, .14_r8, .20_r8, &
     684             :                           .20_r8, .006_r8, 1._r8, 1._r8, 1._r8, &
     685             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     686             :                           1._r8, 0.28_r8, 1._r8, 1._r8, 1._r8, &
     687             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     688             :                           .006_r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     689             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     690             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     691             :                           1._r8, 1._r8, 1._r8, .10_r8, 1._r8, &
     692             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     693             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     694             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     695             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     696             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     697             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     698             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     699             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     700             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     701      175104 :                           1._r8, 1._r8, 1._r8 /)
     702        1536 :       allocate( cph_enthalpy(enthalpy_cnt),stat=ios )
     703        1536 :       if( ios /= 0 ) then
     704           0 :          write(iulog,*) 'set_sim_dat: failed to allocate cph_enthalpy; error = ',ios
     705           0 :          call endrun
     706             :       end if
     707        1536 :       allocate( cph_rid(enthalpy_cnt),stat=ios )
     708        1536 :       if( ios /= 0 ) then
     709           0 :          write(iulog,*) 'set_sim_dat: failed to allocate cph_rid; error = ',ios
     710           0 :          call endrun
     711             :       end if
     712             :       cph_rid(:)      = (/             116,            119,            120,            121,            124, &
     713             :                                        127,            128,            129,            130,            133, &
     714             :                                        134,            135,            138,            140,            144, &
     715       29184 :                                        145,            153,            154 /)
     716             :       cph_enthalpy(:) = (/   189.810000_r8,  392.190000_r8,  493.580000_r8,  101.390000_r8,  232.590000_r8, &
     717             :                              203.400000_r8,  226.580000_r8,  120.100000_r8,  194.710000_r8,  293.620000_r8, &
     718             :                               67.670000_r8,  165.300000_r8,  165.510000_r8,  313.750000_r8,  133.750000_r8, &
     719       29184 :                              193.020000_r8,   34.470000_r8,  199.170000_r8 /)
     720        1536 :       allocate( num_rnts(rxntot-phtcnt),stat=ios )
     721        1536 :       if( ios /= 0 ) then
     722           0 :          write(iulog,*) 'set_sim_dat: failed to allocate num_rnts; error = ',ios
     723           0 :          call endrun
     724             :       end if
     725             :       num_rnts(:) = (/      2,     2,     2,     2,     2,     2,     3,     3,     2,     2, &
     726             :                             2,     2,     2,     3,     2,     2,     2,     2,     2,     2, &
     727             :                             2,     2,     2,     3,     2,     2,     2,     2,     2,     2, &
     728             :                             2,     2,     2,     3,     2,     2,     2,     2,     2,     2, &
     729             :                             2,     3,     2,     2,     3,     3,     3,     2,     2,     2, &
     730             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     731             :                             2,     2,     2,     2,     3,     2,     2,     2,     2,     2, &
     732             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     733             :                             2,     2,     2,     2,     3,     2,     2,     2,     2,     2, &
     734             :                             2,     2,     2,     2,     2,     3,     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,     3,     3,     2,     2,     1,     2,     2,     2,     2, &
     740             :                             2,     2,     3,     3,     3,     2,     2,     2,     2,     2, &
     741             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     742             :                             2,     2,     2,     2,     2,     1,     2,     2,     2,     2, &
     743             :                             3,     3,     2,     2,     2,     2,     2,     2,     2,     2, &
     744             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     745             :                             2,     3,     2,     2,     2,     2,     2,     2,     2,     2, &
     746             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     747             :                             2,     2,     2,     2,     2,     2,     2,     3,     2,     2, &
     748             :                             3,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     749             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     1, &
     750             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     751             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     752             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     753             :                             2,     2,     2,     2,     2,     2,     2,     2,     3,     2, &
     754             :                             2,     3,     2,     2,     3,     2,     2,     2,     2,     2, &
     755             :                             2,     3,     2,     2,     2,     2,     2,     2,     2,     2, &
     756             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     757             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     758             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     759             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     760             :                             2,     2,     2,     2,     2,     2,     1,     1,     1,     1, &
     761             :                             1,     1,     1,     1,     1,     1,     1,     1,     1,     1, &
     762             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     763             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     764             :                             2,     2,     2,     2,     2,     2,     2,     2,     1,     2, &
     765             :                             1,     1,     1,     1,     2,     2,     2,     1,     1,     2, &
     766      645120 :                             2,     2,     1,     1,     2,     1,     1,     1,     1 /)
     767             : 
     768        1536 :       end subroutine set_sim_dat
     769             : 
     770             :       end module mo_sim_dat

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