LCOV - code coverage report
Current view: top level - chemistry/pp_waccm_tsmlt_mam5 - mo_sim_dat.F90 (source / functions) Hit Total Coverage
Test: coverage.info Lines: 51 74 68.9 %
Date: 2025-03-14 01:23:43 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(:) = (/      2,     0,     0,   239,     0 /)
      35             : 
      36        7680 :       cls_rxt_cnt(:,1) = (/      9,     0,     0,     2 /)
      37        7680 :       cls_rxt_cnt(:,4) = (/      8,   185,   404,   239 /)
      38             : 
      39             :       solsym(:241) = (/ 'ALKNIT          ','ALKOOH          ','AOA_NH          ','bc_a1           ','bc_a4           ', &
      40             :                         'BCARY           ','BENZENE         ','BENZOOH         ','BEPOMUC         ','BIGALD          ', &
      41             :                         'BIGALD1         ','BIGALD2         ','BIGALD3         ','BIGALD4         ','BIGALK          ', &
      42             :                         'BIGENE          ','BR              ','BRCL            ','BRO             ','BRONO2          ', &
      43             :                         'BRY             ','BZALD           ','BZOOH           ','C2H2            ','C2H4            ', &
      44             :                         'C2H5OH          ','C2H5OOH         ','C2H6            ','C3H6            ','C3H7OOH         ', &
      45             :                         'C3H8            ','C6H5OOH         ','CCL4            ','CF2CLBR         ','CF3BR           ', &
      46             :                         'CFC11           ','CFC113          ','CFC114          ','CFC115          ','CFC12           ', &
      47             :                         'CH2BR2          ','CH2O            ','CH3BR           ','CH3CCL3         ','CH3CHO          ', &
      48             :                         'CH3CL           ','CH3CN           ','CH3COCH3        ','CH3COCHO        ','CH3COOH         ', &
      49             :                         'CH3COOOH        ','CH3OH           ','CH3OOH          ','CH4             ','CHBR3           ', &
      50             :                         'CL              ','CL2             ','CL2O2           ','CLO             ','CLONO2          ', &
      51             :                         'CLY             ','CO              ','CO2             ','COF2            ','COFCL           ', &
      52             :                         'CRESOL          ','DMS             ','dst_a1          ','dst_a2          ','dst_a3          ', &
      53             :                         'E90             ','EOOH            ','F               ','GLYALD          ','GLYOXAL         ', &
      54             :                         'H               ','H2              ','H2402           ','H2O2            ','H2SO4           ', &
      55             :                         'HBR             ','HCFC141B        ','HCFC142B        ','HCFC22          ','HCL             ', &
      56             :                         'HCN             ','HCOOH           ','HF              ','HNO3            ','HO2             ', &
      57             :                         'HO2NO2          ','HOBR            ','HOCL            ','HONITR          ','HPALD           ', &
      58             :                         'HYAC            ','HYDRALD         ','IEPOX           ','ISOP            ','ISOPNITA        ', &
      59             :                         'ISOPNITB        ','ISOPNOOH        ','ISOPOOH         ','IVOC            ','MACR            ', &
      60             :                         'MACROOH         ','MEK             ','MEKOOH          ','MPAN            ','MTERP           ', &
      61             :                         'MVK             ','N               ','N2O             ','N2O5            ','NC4CH2OH        ', &
      62             :                         'NC4CHO          ','ncl_a1          ','ncl_a2          ','ncl_a3          ','NH3             ', &
      63             :                         'NH4             ','NH_5            ','NH_50           ','NO              ','NO2             ', &
      64             :                         'NO3             ','NOA             ','NTERPOOH        ','num_a1          ','num_a2          ', &
      65             :                         'num_a3          ','num_a4          ','num_a5          ','O               ','O2              ', &
      66             :                         'O3              ','O3S             ','OCLO            ','OCS             ','ONITR           ', &
      67             :                         'PAN             ','PBZNIT          ','PHENO           ','PHENOL          ','PHENOOH         ', &
      68             :                         'pom_a1          ','pom_a4          ','POOH            ','ROOH            ','S               ', &
      69             :                         'SF6             ','SO              ','SO2             ','SO3             ','so4_a1          ', &
      70             :                         'so4_a2          ','so4_a3          ','so4_a5          ','soa1_a1         ','soa1_a2         ', &
      71             :                         'soa2_a1         ','soa2_a2         ','soa3_a1         ','soa3_a2         ','soa4_a1         ', &
      72             :                         'soa4_a2         ','soa5_a1         ','soa5_a2         ','SOAG0           ','SOAG1           ', &
      73             :                         'SOAG2           ','SOAG3           ','SOAG4           ','ST80_25         ','SVOC            ', &
      74             :                         'TEPOMUC         ','TERP2OOH        ','TERPNIT         ','TERPOOH         ','TERPROD1        ', &
      75             :                         'TERPROD2        ','TOLOOH          ','TOLUENE         ','XOOH            ','XYLENES         ', &
      76             :                         'XYLENOOH        ','XYLOL           ','XYLOLOOH        ','NHDEP           ','NDEP            ', &
      77             :                         'ACBZO2          ','ALKO2           ','BCARYO2VBS      ','BENZO2          ','BENZO2VBS       ', &
      78             :                         'BZOO            ','C2H5O2          ','C3H7O2          ','C6H5O2          ','CH3CO3          ', &
      79             :                         'CH3O2           ','DICARBO2        ','e               ','ENEO2           ','EO              ', &
      80             :                         'EO2             ','HOCH2OO         ','ISOPAO2         ','ISOPBO2         ','ISOPNO3         ', &
      81             :                         'ISOPO2VBS       ','IVOCO2VBS       ','MACRO2          ','MALO2           ','MCO3            ', &
      82             :                         'MDIALO2         ','MEKO2           ','MTERPO2VBS      ','N2D             ','N2p             ', &
      83             :                         'NOp             ','Np              ','NTERPO2         ','O1D             ','O2_1D           ', &
      84             :                         'O2_1S           ','O2p             ','OH              ','Op              ','PHENO2          ', &
      85             :                         'PO2             ','RO2             ','TERP2O2         ','TERPO2          ','TOLO2           ', &
      86             :                         'TOLUO2VBS       ','XO2             ','XYLENO2         ','XYLEO2VBS       ','XYLOLO2         ', &
      87      371712 :                         'H2O             ' /)
      88             : 
      89             :       adv_mass(:241) = (/   133.141340_r8,   104.142600_r8,    28.010400_r8,    12.011000_r8,    12.011000_r8, &
      90             :                             204.342600_r8,    78.110400_r8,   160.122200_r8,   126.108600_r8,    98.098200_r8, &
      91             :                              84.072400_r8,    98.098200_r8,    98.098200_r8,   112.124000_r8,    72.143800_r8, &
      92             :                              56.103200_r8,    79.904000_r8,   115.356700_r8,    95.903400_r8,   141.908940_r8, &
      93             :                              99.716850_r8,   106.120800_r8,   124.135000_r8,    26.036800_r8,    28.051600_r8, &
      94             :                              46.065800_r8,    62.065200_r8,    30.066400_r8,    42.077400_r8,    76.091000_r8, &
      95             :                              44.092200_r8,   110.109200_r8,   153.821800_r8,   165.364506_r8,   148.910210_r8, &
      96             :                             137.367503_r8,   187.375310_r8,   170.921013_r8,   154.466716_r8,   120.913206_r8, &
      97             :                             173.833800_r8,    30.025200_r8,    94.937200_r8,   133.402300_r8,    44.051000_r8, &
      98             :                              50.485900_r8,    41.050940_r8,    58.076800_r8,    72.061400_r8,    60.050400_r8, &
      99             :                              76.049800_r8,    32.040000_r8,    48.039400_r8,    16.040600_r8,   252.730400_r8, &
     100             :                              35.452700_r8,    70.905400_r8,   102.904200_r8,    51.452100_r8,    97.457640_r8, &
     101             :                             100.916850_r8,    28.010400_r8,    44.009800_r8,    66.007206_r8,    82.461503_r8, &
     102             :                             108.135600_r8,    62.132400_r8,   135.064039_r8,   135.064039_r8,   135.064039_r8, &
     103             :                              28.010400_r8,    78.064600_r8,    18.998403_r8,    60.050400_r8,    58.035600_r8, &
     104             :                               1.007400_r8,     2.014800_r8,   259.823613_r8,    34.013600_r8,    98.078400_r8, &
     105             :                              80.911400_r8,   116.948003_r8,   100.493706_r8,    86.467906_r8,    36.460100_r8, &
     106             :                              27.025140_r8,    46.024600_r8,    20.005803_r8,    63.012340_r8,    33.006200_r8, &
     107             :                              79.011740_r8,    96.910800_r8,    52.459500_r8,   135.114940_r8,   116.112400_r8, &
     108             :                              74.076200_r8,   100.113000_r8,   118.127200_r8,    68.114200_r8,   147.125940_r8, &
     109             :                             147.125940_r8,   163.125340_r8,   118.127200_r8,   184.350200_r8,    70.087800_r8, &
     110             :                             120.100800_r8,    72.102600_r8,   104.101400_r8,   147.084740_r8,   136.228400_r8, &
     111             :                              70.087800_r8,    14.006740_r8,    44.012880_r8,   108.010480_r8,   147.125940_r8, &
     112             :                             145.111140_r8,    58.442468_r8,    58.442468_r8,    58.442468_r8,    17.028940_r8, &
     113             :                              18.036340_r8,    28.010400_r8,    28.010400_r8,    30.006140_r8,    46.005540_r8, &
     114             :                              62.004940_r8,   119.074340_r8,   231.239540_r8,     1.007400_r8,     1.007400_r8, &
     115             :                               1.007400_r8,     1.007400_r8,     1.007400_r8,    15.999400_r8,    31.998800_r8, &
     116             :                              47.998200_r8,    47.998200_r8,    67.451500_r8,    60.076400_r8,   133.100140_r8, &
     117             :                             121.047940_r8,   183.117740_r8,    93.102400_r8,    94.109800_r8,   176.121600_r8, &
     118             :                              12.011000_r8,    12.011000_r8,    92.090400_r8,    90.075600_r8,    32.066000_r8, &
     119             :                             146.056419_r8,    48.065400_r8,    64.064800_r8,    80.064200_r8,   115.107340_r8, &
     120             :                             115.107340_r8,   115.107340_r8,   115.107340_r8,   250.445000_r8,   250.445000_r8, &
     121             :                             250.445000_r8,   250.445000_r8,   250.445000_r8,   250.445000_r8,   250.445000_r8, &
     122             :                             250.445000_r8,   250.445000_r8,   250.445000_r8,   250.445000_r8,   250.445000_r8, &
     123             :                             250.445000_r8,   250.445000_r8,   250.445000_r8,    28.010400_r8,   310.582400_r8, &
     124             :                             140.134400_r8,   200.226000_r8,   215.240140_r8,   186.241400_r8,   168.227200_r8, &
     125             :                             154.201400_r8,   174.148000_r8,    92.136200_r8,   150.126000_r8,   106.162000_r8, &
     126             :                             188.173800_r8,   122.161400_r8,   204.173200_r8,    14.006740_r8,    14.006740_r8, &
     127             :                             137.112200_r8,   103.135200_r8,   253.348200_r8,   159.114800_r8,   159.114800_r8, &
     128             :                             123.127600_r8,    61.057800_r8,    75.083600_r8,   109.101800_r8,    75.042400_r8, &
     129             :                              47.032000_r8,   129.089600_r8, 0.548567E-03_r8,   105.108800_r8,    61.057800_r8, &
     130             :                              77.057200_r8,    63.031400_r8,   117.119800_r8,   117.119800_r8,   162.117940_r8, &
     131             :                             117.119800_r8,   233.355800_r8,   119.093400_r8,   115.063800_r8,   101.079200_r8, &
     132             :                             117.078600_r8,   103.094000_r8,   185.234000_r8,    14.006740_r8,    28.013480_r8, &
     133             :                              30.006140_r8,    14.006740_r8,   230.232140_r8,    15.999400_r8,    31.998800_r8, &
     134             :                              31.998800_r8,    31.998800_r8,    17.006800_r8,    15.999400_r8,   175.114200_r8, &
     135             :                              91.083000_r8,    89.068200_r8,   199.218600_r8,   185.234000_r8,   173.140600_r8, &
     136             :                             173.140600_r8,   149.118600_r8,   187.166400_r8,   187.166400_r8,   203.165800_r8, &
     137        1536 :                              18.014200_r8 /)
     138             : 
     139             :       crb_mass(:241) = (/    60.055000_r8,    60.055000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8, &
     140             :                             180.165000_r8,    72.066000_r8,    72.066000_r8,    72.066000_r8,    60.055000_r8, &
     141             :                              48.044000_r8,    60.055000_r8,    60.055000_r8,    72.066000_r8,    60.055000_r8, &
     142             :                              48.044000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     143             :                               0.000000_r8,    84.077000_r8,    84.077000_r8,    24.022000_r8,    24.022000_r8, &
     144             :                              24.022000_r8,    24.022000_r8,    24.022000_r8,    36.033000_r8,    36.033000_r8, &
     145             :                              36.033000_r8,    72.066000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8, &
     146             :                              12.011000_r8,    24.022000_r8,    24.022000_r8,    24.022000_r8,    12.011000_r8, &
     147             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,    24.022000_r8,    24.022000_r8, &
     148             :                              12.011000_r8,    24.022000_r8,    36.033000_r8,    36.033000_r8,    24.022000_r8, &
     149             :                              24.022000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8, &
     150             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     151             :                              12.011000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8,    12.011000_r8, &
     152             :                              84.077000_r8,    24.022000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     153             :                              12.011000_r8,    24.022000_r8,     0.000000_r8,    24.022000_r8,    24.022000_r8, &
     154             :                               0.000000_r8,     0.000000_r8,    24.022000_r8,     0.000000_r8,     0.000000_r8, &
     155             :                               0.000000_r8,    24.022000_r8,    24.022000_r8,    12.011000_r8,     0.000000_r8, &
     156             :                              12.011000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     157             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,    48.044000_r8,    60.055000_r8, &
     158             :                              36.033000_r8,    60.055000_r8,    60.055000_r8,    60.055000_r8,    60.055000_r8, &
     159             :                              60.055000_r8,    60.055000_r8,    60.055000_r8,   156.143000_r8,    48.044000_r8, &
     160             :                              48.044000_r8,    48.044000_r8,    48.044000_r8,    48.044000_r8,   120.110000_r8, &
     161             :                              48.044000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,    60.055000_r8, &
     162             :                              60.055000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     163             :                               0.000000_r8,    12.011000_r8,    12.011000_r8,     0.000000_r8,     0.000000_r8, &
     164             :                               0.000000_r8,    36.033000_r8,   120.110000_r8,     0.000000_r8,     0.000000_r8, &
     165             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     166             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,    12.011000_r8,    48.044000_r8, &
     167             :                              24.022000_r8,    84.077000_r8,    72.066000_r8,    72.066000_r8,    72.066000_r8, &
     168             :                              12.011000_r8,    12.011000_r8,    36.033000_r8,    36.033000_r8,     0.000000_r8, &
     169             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8, &
     170             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,   180.165000_r8,   180.165000_r8, &
     171             :                             180.165000_r8,   180.165000_r8,   180.165000_r8,   180.165000_r8,   180.165000_r8, &
     172             :                             180.165000_r8,   180.165000_r8,   180.165000_r8,   180.165000_r8,   180.165000_r8, &
     173             :                             180.165000_r8,   180.165000_r8,   180.165000_r8,    12.011000_r8,   264.242000_r8, &
     174             :                              84.077000_r8,   120.110000_r8,   120.110000_r8,   120.110000_r8,   120.110000_r8, &
     175             :                             108.099000_r8,    84.077000_r8,    84.077000_r8,    60.055000_r8,    96.088000_r8, &
     176             :                              96.088000_r8,    96.088000_r8,    96.088000_r8,     0.000000_r8,     0.000000_r8, &
     177             :                              84.077000_r8,    60.055000_r8,   180.165000_r8,    72.066000_r8,    72.066000_r8, &
     178             :                              84.077000_r8,    24.022000_r8,    36.033000_r8,    72.066000_r8,    24.022000_r8, &
     179             :                              12.011000_r8,    60.055000_r8,     0.000000_r8,    48.044000_r8,    24.022000_r8, &
     180             :                              24.022000_r8,    12.011000_r8,    60.055000_r8,    60.055000_r8,    60.055000_r8, &
     181             :                              60.055000_r8,   156.143000_r8,    48.044000_r8,    48.044000_r8,    48.044000_r8, &
     182             :                              48.044000_r8,    48.044000_r8,   120.110000_r8,     0.000000_r8,     0.000000_r8, &
     183             :                               0.000000_r8,     0.000000_r8,   120.110000_r8,     0.000000_r8,     0.000000_r8, &
     184             :                               0.000000_r8,     0.000000_r8,     0.000000_r8,     0.000000_r8,    72.066000_r8, &
     185             :                              36.033000_r8,    36.033000_r8,   120.110000_r8,   120.110000_r8,    84.077000_r8, &
     186             :                              84.077000_r8,    60.055000_r8,    96.088000_r8,    96.088000_r8,    96.088000_r8, &
     187        1536 :                               0.000000_r8 /)
     188             : 
     189        1536 :       fix_mass(:  2) = (/ 0.00000000_r8, 28.0134800_r8 /)
     190             : 
     191        4608 :       clsmap(:  2,1) = (/  189, 190 /)
     192             :       clsmap(:239,4) = (/    1,   2,   3,   4,   5,   6,   7,   8,   9,  10, &
     193             :                             11,  12,  13,  14,  15,  16,  17,  18,  19,  20, &
     194             :                             21,  22,  23,  24,  25,  26,  27,  28,  29,  30, &
     195             :                             31,  32,  33,  34,  35,  36,  37,  38,  39,  40, &
     196             :                             41,  42,  43,  44,  45,  46,  47,  48,  49,  50, &
     197             :                             51,  52,  53,  54,  55,  56,  57,  58,  59,  60, &
     198             :                             61,  62,  63,  64,  65,  66,  67,  68,  69,  70, &
     199             :                             71,  72,  73,  74,  75,  76,  77,  78,  79,  80, &
     200             :                             81,  82,  83,  84,  85,  86,  87,  88,  89,  90, &
     201             :                             91,  92,  93,  94,  95,  96,  97,  98,  99, 100, &
     202             :                            101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
     203             :                            111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
     204             :                            121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
     205             :                            131, 132, 133, 134, 135, 136, 137, 138, 139, 140, &
     206             :                            141, 142, 143, 144, 145, 146, 147, 148, 149, 150, &
     207             :                            151, 152, 153, 154, 155, 156, 157, 158, 159, 160, &
     208             :                            161, 162, 163, 164, 165, 166, 167, 168, 169, 170, &
     209             :                            171, 172, 173, 174, 175, 176, 177, 178, 179, 180, &
     210             :                            181, 182, 183, 184, 185, 186, 187, 188, 191, 192, &
     211             :                            193, 194, 195, 196, 197, 198, 199, 200, 201, 202, &
     212             :                            203, 204, 205, 206, 207, 208, 209, 210, 211, 212, &
     213             :                            213, 214, 215, 216, 217, 218, 219, 220, 221, 222, &
     214             :                            223, 224, 225, 226, 227, 228, 229, 230, 231, 232, &
     215      368640 :                            233, 234, 235, 236, 237, 238, 239, 240, 241 /)
     216             : 
     217             :       permute(:239,4) = (/  155, 159,   1,   2,   3, 188,  71, 122,  72, 116, &
     218             :                             130,  98, 149, 108,  85, 113, 221,  86, 223, 145, &
     219             :                               4,  88, 111, 100, 143,  95, 112, 102, 199, 121, &
     220             :                             103,  96,  56,  67,  68,  59,  69,  60,  70,  61, &
     221             :                             133, 229, 150,  62, 200, 115,  57, 195, 210, 161, &
     222             :                             152, 173, 128, 236, 117, 234,  74,  54, 224, 187, &
     223             :                               5, 201, 217,  89,  91,  79, 104,   6,   7,   8, &
     224             :                               9,  63, 184, 202, 192, 233, 218,  58, 147,  64, &
     225             :                             174,  90,  92, 101, 220,  77, 183,  99, 231, 237, &
     226             :                             132, 169, 175, 204,  84, 205, 107,  65, 179, 148, &
     227             :                             144, 120, 162,  50, 209, 105, 138, 106, 151, 190, &
     228             :                             214, 189,  93,  97, 124, 196,  10,  11,  12,  55, &
     229             :                              13,  14,  15, 227, 228, 225, 180, 118,  16,  17, &
     230             :                              18,  19,  20, 232, 222, 235,  21, 109, 114,  87, &
     231             :                             141,  66, 131,  73, 110,  22,  23, 142, 119, 163, &
     232             :                              24, 219, 186,  94,  25,  26,  27,  28,  29,  30, &
     233             :                              31,  32,  33,  34,  35,  36,  37,  38,  39,  40, &
     234             :                              41,  42,  43,  44,  45,  80, 156, 153, 134, 194, &
     235             :                             198, 157,  78,  81,  82, 164,  83, 123, 139, 191, &
     236             :                              46, 135,  47, 125, 181, 185, 154, 216, 238, 168, &
     237             :                             178, 146, 129, 170, 126, 211, 212, 208,  48,  49, &
     238             :                             213, 165, 215, 182, 160,  51, 140, 158, 176, 136, &
     239             :                             197, 230,  75,  76, 177, 226, 171, 127, 172, 206, &
     240      368640 :                             203, 193, 166,  52, 207, 167,  53, 137, 239 /)
     241             : 
     242             :       diag_map(:239) = (/    1,   2,   3,   4,   5,   6,   7,   8,   9,  10, &
     243             :                             11,  12,  13,  14,  15,  16,  17,  18,  19,  20, &
     244             :                             21,  22,  23,  24,  25,  26,  27,  28,  29,  30, &
     245             :                             31,  32,  33,  34,  35,  36,  37,  38,  39,  40, &
     246             :                             41,  42,  43,  44,  50,  56,  62,  68,  74,  76, &
     247             :                             82,  88,  94,  95,  98, 101, 104, 107, 111, 115, &
     248             :                            119, 123, 127, 130, 133, 136, 139, 144, 149, 154, &
     249             :                            160, 166, 170, 175, 177, 180, 182, 187, 194, 199, &
     250             :                            203, 208, 216, 221, 226, 229, 232, 235, 238, 241, &
     251             :                            246, 251, 256, 261, 265, 269, 273, 279, 282, 285, &
     252             :                            292, 298, 304, 310, 316, 321, 326, 329, 334, 339, &
     253             :                            345, 350, 355, 363, 371, 379, 385, 391, 397, 403, &
     254             :                            409, 415, 421, 427, 435, 441, 448, 454, 460, 465, &
     255             :                            468, 472, 479, 486, 495, 502, 510, 517, 523, 529, &
     256             :                            534, 542, 550, 558, 566, 574, 582, 589, 598, 602, &
     257             :                            611, 620, 627, 635, 642, 652, 665, 676, 687, 698, &
     258             :                            705, 711, 718, 729, 740, 751, 767, 778, 787, 797, &
     259             :                            805, 814, 824, 828, 837, 845, 853, 865, 876, 892, &
     260             :                            901, 910, 919, 925, 935, 947, 955, 974, 999,1018, &
     261             :                           1042,1054,1062,1072,1080,1090,1106,1119,1133,1151, &
     262             :                           1160,1166,1178,1195,1208,1217,1233,1253,1269,1281, &
     263             :                           1299,1332,1356,1376,1397,1428,1450,1461,1476,1495, &
     264             :                           1511,1542,1565,1592,1652,1818,1914,1960,1987,2031, &
     265        1536 :                           2055,2099,2121,2168,2233,2259,2368,2421,2449 /)
     266             : 
     267             :       extfrc_lst(: 22) = (/ 'CO              ','SVOC            ','SO2             ','NO2             ','NO              ', &
     268             :                             'num_a1          ','num_a2          ','so4_a1          ','so4_a2          ','num_a5          ', &
     269             :                             'so4_a5          ','num_a4          ','pom_a4          ','bc_a4           ','O2p             ', &
     270             :                             'N2p             ','N2D             ','AOA_NH          ','N               ','OH              ', &
     271       35328 :                             'Op              ','e               ' /)
     272             : 
     273             :       frc_from_dataset(: 22) = (/ .true., .true., .true., .true., .true., &
     274             :                                   .true., .true., .true., .true., .true., &
     275             :                                   .true., .true., .true., .true., .false., &
     276             :                                   .false., .false., .false., .false., .false., &
     277        1536 :                                   .false., .false. /)
     278             : 
     279        4608 :       inv_lst(:  2) = (/ 'M               ', 'N2              ' /)
     280             : 
     281             :       slvd_lst(: 50) = (/ 'ACBZO2          ', 'ALKO2           ', 'BCARYO2VBS      ', 'BENZO2          ', 'BENZO2VBS       ', &
     282             :                           'BZOO            ', 'C2H5O2          ', 'C3H7O2          ', 'C6H5O2          ', 'CH3CO3          ', &
     283             :                           'CH3O2           ', 'DICARBO2        ', 'e               ', 'ENEO2           ', 'EO              ', &
     284             :                           'EO2             ', 'HOCH2OO         ', 'ISOPAO2         ', 'ISOPBO2         ', 'ISOPNO3         ', &
     285             :                           'ISOPO2VBS       ', 'IVOCO2VBS       ', 'MACRO2          ', 'MALO2           ', 'MCO3            ', &
     286             :                           'MDIALO2         ', 'MEKO2           ', 'MTERPO2VBS      ', 'N2D             ', 'N2p             ', &
     287             :                           'NOp             ', 'Np              ', 'NTERPO2         ', 'O1D             ', 'O2_1D           ', &
     288             :                           'O2_1S           ', 'O2p             ', 'OH              ', 'Op              ', 'PHENO2          ', &
     289             :                           'PO2             ', 'RO2             ', 'TERP2O2         ', 'TERPO2          ', 'TOLO2           ', &
     290       78336 :                           'TOLUO2VBS       ', 'XO2             ', 'XYLENO2         ', 'XYLEO2VBS       ', 'XYLOLO2         ' /)
     291             : 
     292        1536 :       if( allocated( rxt_tag_lst ) ) then
     293           0 :          deallocate( rxt_tag_lst )
     294             :       end if
     295        1536 :       allocate( rxt_tag_lst(rxt_tag_cnt),stat=ios )
     296        1536 :       if( ios /= 0 ) then
     297           0 :          write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_lst; error = ',ios
     298           0 :          call endrun
     299             :       end if
     300        1536 :       if( allocated( rxt_tag_map ) ) then
     301           0 :          deallocate( rxt_tag_map )
     302             :       end if
     303        1536 :       allocate( rxt_tag_map(rxt_tag_cnt),stat=ios )
     304        1536 :       if( ios /= 0 ) then
     305           0 :          write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_map; error = ',ios
     306           0 :          call endrun
     307             :       end if
     308        1536 :       rxt_tag_lst(     1:   200) = (/ 'jh2o_b                          ', 'jh2o_c                          ', &
     309             :                                       'jh2o_a                          ', 'jh2o2                           ', &
     310             :                                       'jo2_b                           ', 'jo2_a                           ', &
     311             :                                       'jo3_a                           ', 'jo3_b                           ', &
     312             :                                       'jhno3                           ', 'jho2no2_a                       ', &
     313             :                                       'jho2no2_b                       ', 'jn2o                            ', &
     314             :                                       'jn2o5_a                         ', 'jn2o5_b                         ', &
     315             :                                       'jno                             ', 'jno_i                           ', &
     316             :                                       'jno2                            ', 'jno3_a                          ', &
     317             :                                       'jno3_b                          ', 'jalknit                         ', &
     318             :                                       'jalkooh                         ', 'jbenzooh                        ', &
     319             :                                       'jbepomuc                        ', 'jbigald                         ', &
     320             :                                       'jbigald1                        ', 'jbigald2                        ', &
     321             :                                       'jbigald3                        ', 'jbigald4                        ', &
     322             :                                       'jbzooh                          ', 'jc2h5ooh                        ', &
     323             :                                       'jc3h7ooh                        ', 'jc6h5ooh                        ', &
     324             :                                       'jch2o_b                         ', 'jch2o_a                         ', &
     325             :                                       'jch3cho                         ', 'jacet                           ', &
     326             :                                       'jmgly                           ', 'jch3co3h                        ', &
     327             :                                       'jch3ooh                         ', 'jch4_b                          ', &
     328             :                                       'jch4_a                          ', 'jco2                            ', &
     329             :                                       'jeooh                           ', 'jglyald                         ', &
     330             :                                       'jglyoxal                        ', 'jhonitr                         ', &
     331             :                                       'jhpald                          ', 'jhyac                           ', &
     332             :                                       'jisopnooh                       ', 'jisopooh                        ', &
     333             :                                       'jmacr_a                         ', 'jmacr_b                         ', &
     334             :                                       'jmek                            ', 'jmekooh                         ', &
     335             :                                       'jmpan                           ', 'jmvk                            ', &
     336             :                                       'jnc4cho                         ', 'jnoa                            ', &
     337             :                                       'jnterpooh                       ', 'jonitr                          ', &
     338             :                                       'jpan                            ', 'jphenooh                        ', &
     339             :                                       'jpooh                           ', 'jrooh                           ', &
     340             :                                       'jtepomuc                        ', 'jterp2ooh                       ', &
     341             :                                       'jterpnit                        ', 'jterpooh                        ', &
     342             :                                       'jterprd1                        ', 'jterprd2                        ', &
     343             :                                       'jtolooh                         ', 'jxooh                           ', &
     344             :                                       'jxylenooh                       ', 'jxylolooh                       ', &
     345             :                                       'jbrcl                           ', 'jbro                            ', &
     346             :                                       'jbrono2_b                       ', 'jbrono2_a                       ', &
     347             :                                       'jccl4                           ', 'jcf2clbr                        ', &
     348             :                                       'jcf3br                          ', 'jcfcl3                          ', &
     349             :                                       'jcfc113                         ', 'jcfc114                         ', &
     350             :                                       'jcfc115                         ', 'jcf2cl2                         ', &
     351             :                                       'jch2br2                         ', 'jch3br                          ', &
     352             :                                       'jch3ccl3                        ', 'jch3cl                          ', &
     353             :                                       'jchbr3                          ', 'jcl2                            ', &
     354             :                                       'jcl2o2                          ', 'jclo                            ', &
     355             :                                       'jclono2_a                       ', 'jclono2_b                       ', &
     356             :                                       'jcof2                           ', 'jcofcl                          ', &
     357             :                                       'jh2402                          ', 'jhbr                            ', &
     358             :                                       'jhcfc141b                       ', 'jhcfc142b                       ', &
     359             :                                       'jhcfc22                         ', 'jhcl                            ', &
     360             :                                       'jhf                             ', 'jhobr                           ', &
     361             :                                       'jhocl                           ', 'joclo                           ', &
     362             :                                       'jsf6                            ', 'jeuv_26                         ', &
     363             :                                       'jeuv_4                          ', 'jeuv_13                         ', &
     364             :                                       'jeuv_11                         ', 'jeuv_6                          ', &
     365             :                                       'jeuv_10                         ', 'jeuv_22                         ', &
     366             :                                       'jeuv_23                         ', 'jeuv_25                         ', &
     367             :                                       'jeuv_18                         ', 'jeuv_2                          ', &
     368             :                                       'jeuv_1                          ', 'jeuv_16                         ', &
     369             :                                       'jeuv_15                         ', 'jeuv_14                         ', &
     370             :                                       'jeuv_3                          ', 'jeuv_17                         ', &
     371             :                                       'jeuv_9                          ', 'jeuv_8                          ', &
     372             :                                       'jeuv_7                          ', 'jeuv_5                          ', &
     373             :                                       'jeuv_19                         ', 'jeuv_20                         ', &
     374             :                                       'jeuv_21                         ', 'jeuv_24                         ', &
     375             :                                       'jeuv_12                         ', 'jh2so4                          ', &
     376             :                                       'jocs                            ', 'jso                             ', &
     377             :                                       'jso2                            ', 'jso3                            ', &
     378             :                                       'jsoa1_a1                        ', 'jsoa1_a2                        ', &
     379             :                                       'jsoa2_a1                        ', 'jsoa2_a2                        ', &
     380             :                                       'jsoa3_a1                        ', 'jsoa3_a2                        ', &
     381             :                                       'jsoa4_a1                        ', 'jsoa4_a2                        ', &
     382             :                                       'jsoa5_a1                        ', 'jsoa5_a2                        ', &
     383             :                                       'ag1                             ', 'ag2                             ', &
     384             :                                       'O1D_H2                          ', 'O1D_H2O                         ', &
     385             :                                       'O1D_N2                          ', 'O1D_O2                          ', &
     386             :                                       'O1D_O2b                         ', 'O1D_O3                          ', &
     387             :                                       'O2_1D_N2                        ', 'O2_1D_O                         ', &
     388             :                                       'O2_1D_O2                        ', 'O2_1S_CO2                       ', &
     389             :                                       'O2_1S_N2                        ', 'O2_1S_O                         ', &
     390             :                                       'O2_1S_O2                        ', 'O2_1S_O3                        ', &
     391             :                                       'O_O3                            ', 'usr_O_O                         ', &
     392             :                                       'usr_O_O2                        ', 'H2_O                            ', &
     393             :                                       'H2O2_O                          ', 'H_HO2                           ', &
     394             :                                       'H_HO2a                          ', 'H_HO2b                          ', &
     395             :                                       'H_O2                            ', 'HO2_O                           ', &
     396             :                                       'HO2_O3                          ', 'H_O3                            ', &
     397             :                                       'OH_H2                           ', 'OH_H2O2                         ', &
     398             :                                       'OH_HO2                          ', 'OH_O                            ', &
     399             :                                       'OH_O3                           ', 'OH_OH                           ', &
     400             :                                       'OH_OH_M                         ', 'usr_HO2_HO2                     ', &
     401             :                                       'HO2NO2_OH                       ', 'N2D_O                           ', &
     402             :                                       'N2D_O2                          ', 'N_NO                            ', &
     403             :                                       'N_NO2a                          ', 'N_NO2b                          ', &
     404             :                                       'N_NO2c                          ', 'N_O2                            ', &
     405             :                                       'NO2_O                           ', 'NO2_O3                          ', &
     406             :                                       'NO2_O_M                         ', 'NO3_HO2                         ', &
     407      310272 :                                       'NO3_NO                          ', 'NO3_O                           ' /)
     408        1536 :       rxt_tag_lst(   201:   400) = (/ 'NO3_OH                          ', 'N_OH                            ', &
     409             :                                       'NO_HO2                          ', 'NO_O3                           ', &
     410             :                                       'NO_O_M                          ', 'O1D_N2Oa                        ', &
     411             :                                       'O1D_N2Ob                        ', 'tag_NO2_HO2                     ', &
     412             :                                       'tag_NO2_NO3                     ', 'tag_NO2_OH                      ', &
     413             :                                       'usr_HNO3_OH                     ', 'usr_HO2NO2_M                    ', &
     414             :                                       'usr_N2O5_M                      ', 'CL_CH2O                         ', &
     415             :                                       'CL_CH4                          ', 'CL_H2                           ', &
     416             :                                       'CL_H2O2                         ', 'CL_HO2a                         ', &
     417             :                                       'CL_HO2b                         ', 'CL_O3                           ', &
     418             :                                       'CLO_CH3O2                       ', 'CLO_CLOa                        ', &
     419             :                                       'CLO_CLOb                        ', 'CLO_CLOc                        ', &
     420             :                                       'CLO_HO2                         ', 'CLO_NO                          ', &
     421             :                                       'CLONO2_CL                       ', 'CLO_NO2_M                       ', &
     422             :                                       'CLONO2_O                        ', 'CLONO2_OH                       ', &
     423             :                                       'CLO_O                           ', 'CLO_OHa                         ', &
     424             :                                       'CLO_OHb                         ', 'HCL_O                           ', &
     425             :                                       'HCL_OH                          ', 'HOCL_CL                         ', &
     426             :                                       'HOCL_O                          ', 'HOCL_OH                         ', &
     427             :                                       'O1D_CCL4                        ', 'O1D_CF2CLBR                     ', &
     428             :                                       'O1D_CFC11                       ', 'O1D_CFC113                      ', &
     429             :                                       'O1D_CFC114                      ', 'O1D_CFC115                      ', &
     430             :                                       'O1D_CFC12                       ', 'O1D_HCLa                        ', &
     431             :                                       'O1D_HCLb                        ', 'tag_CLO_CLO_M                   ', &
     432             :                                       'usr_CL2O2_M                     ', 'BR_CH2O                         ', &
     433             :                                       'BR_HO2                          ', 'BR_O3                           ', &
     434             :                                       'BRO_BRO                         ', 'BRO_CLOa                        ', &
     435             :                                       'BRO_CLOb                        ', 'BRO_CLOc                        ', &
     436             :                                       'BRO_HO2                         ', 'BRO_NO                          ', &
     437             :                                       'BRO_NO2_M                       ', 'BRONO2_O                        ', &
     438             :                                       'BRO_O                           ', 'BRO_OH                          ', &
     439             :                                       'HBR_O                           ', 'HBR_OH                          ', &
     440             :                                       'HOBR_O                          ', 'O1D_CF3BR                       ', &
     441             :                                       'O1D_CHBR3                       ', 'O1D_H2402                       ', &
     442             :                                       'O1D_HBRa                        ', 'O1D_HBRb                        ', &
     443             :                                       'F_CH4                           ', 'F_H2                            ', &
     444             :                                       'F_H2O                           ', 'F_HNO3                          ', &
     445             :                                       'O1D_COF2                        ', 'O1D_COFCL                       ', &
     446             :                                       'CH2BR2_CL                       ', 'CH2BR2_OH                       ', &
     447             :                                       'CH3BR_CL                        ', 'CH3BR_OH                        ', &
     448             :                                       'CH3CCL3_OH                      ', 'CH3CL_CL                        ', &
     449             :                                       'CH3CL_OH                        ', 'CHBR3_CL                        ', &
     450             :                                       'CHBR3_OH                        ', 'HCFC141B_OH                     ', &
     451             :                                       'HCFC142B_OH                     ', 'HCFC22_OH                       ', &
     452             :                                       'O1D_CH2BR2                      ', 'O1D_CH3BR                       ', &
     453             :                                       'O1D_HCFC141B                    ', 'O1D_HCFC142B                    ', &
     454             :                                       'O1D_HCFC22                      ', 'CH2O_HO2                        ', &
     455             :                                       'CH2O_NO3                        ', 'CH2O_O                          ', &
     456             :                                       'CH2O_OH                         ', 'CH3O2_CH3O2a                    ', &
     457             :                                       'CH3O2_CH3O2b                    ', 'CH3O2_HO2                       ', &
     458             :                                       'CH3O2_NO                        ', 'CH3OH_OH                        ', &
     459             :                                       'CH3OOH_OH                       ', 'CH4_OH                          ', &
     460             :                                       'HCN_OH                          ', 'HCOOH_OH                        ', &
     461             :                                       'HOCH2OO_HO2                     ', 'HOCH2OO_M                       ', &
     462             :                                       'HOCH2OO_NO                      ', 'O1D_CH4a                        ', &
     463             :                                       'O1D_CH4b                        ', 'O1D_CH4c                        ', &
     464             :                                       'O1D_HCN                         ', 'usr_CO_OH                       ', &
     465             :                                       'C2H2_CL_M                       ', 'C2H2_OH_M                       ', &
     466             :                                       'C2H4_CL_M                       ', 'C2H4_O3                         ', &
     467             :                                       'C2H5O2_C2H5O2                   ', 'C2H5O2_CH3O2                    ', &
     468             :                                       'C2H5O2_HO2                      ', 'C2H5O2_NO                       ', &
     469             :                                       'C2H5OH_OH                       ', 'C2H5OOH_OH                      ', &
     470             :                                       'C2H6_CL                         ', 'C2H6_OH                         ', &
     471             :                                       'CH3CHO_NO3                      ', 'CH3CHO_OH                       ', &
     472             :                                       'CH3CN_OH                        ', 'CH3CO3_CH3CO3                   ', &
     473             :                                       'CH3CO3_CH3O2                    ', 'CH3CO3_HO2                      ', &
     474             :                                       'CH3CO3_NO                       ', 'CH3COOH_OH                      ', &
     475             :                                       'CH3COOOH_OH                     ', 'EO2_HO2                         ', &
     476             :                                       'EO2_NO                          ', 'EO_M                            ', &
     477             :                                       'EO_O2                           ', 'GLYALD_OH                       ', &
     478             :                                       'GLYOXAL_OH                      ', 'PAN_OH                          ', &
     479             :                                       'tag_C2H4_OH                     ', 'tag_CH3CO3_NO2                  ', &
     480             :                                       'usr_PAN_M                       ', 'C3H6_NO3                        ', &
     481             :                                       'C3H6_O3                         ', 'C3H7O2_CH3O2                    ', &
     482             :                                       'C3H7O2_HO2                      ', 'C3H7O2_NO                       ', &
     483             :                                       'C3H7OOH_OH                      ', 'C3H8_OH                         ', &
     484             :                                       'CH3COCHO_NO3                    ', 'CH3COCHO_OH                     ', &
     485             :                                       'CL_C3H8                         ', 'HYAC_OH                         ', &
     486             :                                       'NOA_OH                          ', 'PO2_HO2                         ', &
     487             :                                       'PO2_NO                          ', 'POOH_OH                         ', &
     488             :                                       'RO2_CH3O2                       ', 'RO2_HO2                         ', &
     489             :                                       'RO2_NO                          ', 'ROOH_OH                         ', &
     490             :                                       'tag_C3H6_OH                     ', 'usr_CH3COCH3_OH                 ', &
     491             :                                       'BIGENE_NO3                      ', 'BIGENE_OH                       ', &
     492             :                                       'ENEO2_NO                        ', 'ENEO2_NOb                       ', &
     493             :                                       'HONITR_OH                       ', 'MACRO2_CH3CO3                   ', &
     494             :                                       'MACRO2_CH3O2                    ', 'MACRO2_HO2                      ', &
     495             :                                       'MACRO2_NO3                      ', 'MACRO2_NOa                      ', &
     496             :                                       'MACRO2_NOb                      ', 'MACR_O3                         ', &
     497             :                                       'MACR_OH                         ', 'MACROOH_OH                      ', &
     498             :                                       'MCO3_CH3CO3                     ', 'MCO3_CH3O2                      ', &
     499             :                                       'MCO3_HO2                        ', 'MCO3_MCO3                       ', &
     500             :                                       'MCO3_NO                         ', 'MCO3_NO3                        ', &
     501             :                                       'MEKO2_HO2                       ', 'MEKO2_NO                        ', &
     502             :                                       'MEK_OH                          ', 'MEKOOH_OH                       ', &
     503             :                                       'MPAN_OH_M                       ', 'MVK_O3                          ', &
     504             :                                       'MVK_OH                          ', 'tag_MCO3_NO2                    ', &
     505             :                                       'usr_MPAN_M                      ', 'ALKNIT_OH                       ', &
     506             :                                       'ALKO2_HO2                       ', 'ALKO2_NO                        ', &
     507      310272 :                                       'ALKO2_NOb                       ', 'ALKOOH_OH                       ' /)
     508        1536 :       rxt_tag_lst(   401:   597) = (/ 'BIGALK_OH                       ', 'HPALD_OH                        ', &
     509             :                                       'HYDRALD_OH                      ', 'IEPOX_OH                        ', &
     510             :                                       'ISOPAO2_CH3CO3                  ', 'ISOPAO2_CH3O2                   ', &
     511             :                                       'ISOPAO2_HO2                     ', 'ISOPAO2_NO                      ', &
     512             :                                       'ISOPAO2_NO3                     ', 'ISOPBO2_CH3CO3                  ', &
     513             :                                       'ISOPBO2_CH3O2                   ', 'ISOPBO2_HO2                     ', &
     514             :                                       'ISOPBO2_M                       ', 'ISOPBO2_NO                      ', &
     515             :                                       'ISOPBO2_NO3                     ', 'ISOPNITA_OH                     ', &
     516             :                                       'ISOPNITB_OH                     ', 'ISOP_NO3                        ', &
     517             :                                       'ISOPNO3_CH3CO3                  ', 'ISOPNO3_CH3O2                   ', &
     518             :                                       'ISOPNO3_HO2                     ', 'ISOPNO3_NO                      ', &
     519             :                                       'ISOPNO3_NO3                     ', 'ISOPNOOH_OH                     ', &
     520             :                                       'ISOP_O3                         ', 'ISOP_OH                         ', &
     521             :                                       'ISOPOOH_OH                      ', 'NC4CH2OH_OH                     ', &
     522             :                                       'NC4CHO_OH                       ', 'XO2_CH3CO3                      ', &
     523             :                                       'XO2_CH3O2                       ', 'XO2_HO2                         ', &
     524             :                                       'XO2_NO                          ', 'XO2_NO3                         ', &
     525             :                                       'XOOH_OH                         ', 'ACBZO2_HO2                      ', &
     526             :                                       'ACBZO2_NO                       ', 'BENZENE_OH                      ', &
     527             :                                       'BENZO2_HO2                      ', 'BENZO2_NO                       ', &
     528             :                                       'BENZOOH_OH                      ', 'BZALD_OH                        ', &
     529             :                                       'BZOO_HO2                        ', 'BZOOH_OH                        ', &
     530             :                                       'BZOO_NO                         ', 'C6H5O2_HO2                      ', &
     531             :                                       'C6H5O2_NO                       ', 'C6H5OOH_OH                      ', &
     532             :                                       'CRESOL_OH                       ', 'DICARBO2_HO2                    ', &
     533             :                                       'DICARBO2_NO                     ', 'DICARBO2_NO2                    ', &
     534             :                                       'MALO2_HO2                       ', 'MALO2_NO                        ', &
     535             :                                       'MALO2_NO2                       ', 'MDIALO2_HO2                     ', &
     536             :                                       'MDIALO2_NO                      ', 'MDIALO2_NO2                     ', &
     537             :                                       'PHENO2_HO2                      ', 'PHENO2_NO                       ', &
     538             :                                       'PHENOL_OH                       ', 'PHENO_NO2                       ', &
     539             :                                       'PHENO_O3                        ', 'PHENOOH_OH                      ', &
     540             :                                       'tag_ACBZO2_NO2                  ', 'TOLO2_HO2                       ', &
     541             :                                       'TOLO2_NO                        ', 'TOLOOH_OH                       ', &
     542             :                                       'TOLUENE_OH                      ', 'usr_PBZNIT_M                    ', &
     543             :                                       'XYLENES_OH                      ', 'XYLENO2_HO2                     ', &
     544             :                                       'XYLENO2_NO                      ', 'XYLENOOH_OH                     ', &
     545             :                                       'XYLOLO2_HO2                     ', 'XYLOLO2_NO                      ', &
     546             :                                       'XYLOL_OH                        ', 'XYLOLOOH_OH                     ', &
     547             :                                       'BCARY_NO3                       ', 'BCARY_O3                        ', &
     548             :                                       'BCARY_OH                        ', 'MTERP_NO3                       ', &
     549             :                                       'MTERP_O3                        ', 'MTERP_OH                        ', &
     550             :                                       'NTERPO2_CH3O2                   ', 'NTERPO2_HO2                     ', &
     551             :                                       'NTERPO2_NO                      ', 'NTERPO2_NO3                     ', &
     552             :                                       'NTERPOOH_OH                     ', 'TERP2O2_CH3O2                   ', &
     553             :                                       'TERP2O2_HO2                     ', 'TERP2O2_NO                      ', &
     554             :                                       'TERP2OOH_OH                     ', 'TERPNIT_OH                      ', &
     555             :                                       'TERPO2_CH3O2                    ', 'TERPO2_HO2                      ', &
     556             :                                       'TERPO2_NO                       ', 'TERPOOH_OH                      ', &
     557             :                                       'TERPROD1_NO3                    ', 'TERPROD1_OH                     ', &
     558             :                                       'TERPROD2_OH                     ', 'DMS_NO3                         ', &
     559             :                                       'DMS_OHa                         ', 'OCS_O                           ', &
     560             :                                       'OCS_OH                          ', 'S_O2                            ', &
     561             :                                       'SO2_OH_M                        ', 'S_O3                            ', &
     562             :                                       'SO_BRO                          ', 'SO_CLO                          ', &
     563             :                                       'S_OH                            ', 'SO_NO2                          ', &
     564             :                                       'SO_O2                           ', 'SO_O3                           ', &
     565             :                                       'SO_OCLO                         ', 'SO_OH                           ', &
     566             :                                       'usr_DMS_OH                      ', 'usr_SO3_H2O                     ', &
     567             :                                       'NH3_OH                          ', 'usr_GLYOXAL_aer                 ', &
     568             :                                       'usr_HO2_aer                     ', 'usr_HONITR_aer                  ', &
     569             :                                       'usr_ISOPNITA_aer                ', 'usr_ISOPNITB_aer                ', &
     570             :                                       'usr_N2O5_aer                    ', 'usr_NC4CH2OH_aer                ', &
     571             :                                       'usr_NC4CHO_aer                  ', 'usr_NH4_strat_tau               ', &
     572             :                                       'usr_NO2_aer                     ', 'usr_NO3_aer                     ', &
     573             :                                       'usr_NTERPOOH_aer                ', 'usr_ONITR_aer                   ', &
     574             :                                       'usr_TERPNIT_aer                 ', 'BCARY_NO3_vbs                   ', &
     575             :                                       'BCARYO2_HO2_vbs                 ', 'BCARYO2_NO_vbs                  ', &
     576             :                                       'BCARY_O3_vbs                    ', 'BCARY_OH_vbs                    ', &
     577             :                                       'BENZENE_OH_vbs                  ', 'BENZO2_HO2_vbs                  ', &
     578             :                                       'BENZO2_NO_vbs                   ', 'ISOP_NO3_vbs                    ', &
     579             :                                       'ISOPO2_HO2_vbs                  ', 'ISOPO2_NO_vbs                   ', &
     580             :                                       'ISOP_O3_vbs                     ', 'ISOP_OH_vbs                     ', &
     581             :                                       'IVOCO2_HO2_vbs                  ', 'IVOCO2_NO_vbs                   ', &
     582             :                                       'IVOC_OH_vbs                     ', 'MTERP_NO3_vbs                   ', &
     583             :                                       'MTERPO2_HO2_vbs                 ', 'MTERPO2_NO_vbs                  ', &
     584             :                                       'MTERP_O3_vbs                    ', 'MTERP_OH_vbs                    ', &
     585             :                                       'SVOC_OH                         ', 'TOLUENE_OH_vbs                  ', &
     586             :                                       'TOLUO2_HO2_vbs                  ', 'TOLUO2_NO_vbs                   ', &
     587             :                                       'XYLENES_OH_vbs                  ', 'XYLEO2_HO2_vbs                  ', &
     588             :                                       'XYLEO2_NO_vbs                   ', 'het1                            ', &
     589             :                                       'het10                           ', 'het11                           ', &
     590             :                                       'het12                           ', 'het13                           ', &
     591             :                                       'het14                           ', 'het15                           ', &
     592             :                                       'het16                           ', 'het17                           ', &
     593             :                                       'het2                            ', 'het3                            ', &
     594             :                                       'het4                            ', 'het5                            ', &
     595             :                                       'het6                            ', 'het7                            ', &
     596             :                                       'het8                            ', 'het9                            ', &
     597             :                                       'elec1                           ', 'elec2                           ', &
     598             :                                       'elec3                           ', 'ion_N2p_O2                      ', &
     599             :                                       'ion_N2p_Oa                      ', 'ion_N2p_Ob                      ', &
     600             :                                       'ion_Np_O                        ', 'ion_Np_O2a                      ', &
     601             :                                       'ion_Np_O2b                      ', 'ion_O2p_N                       ', &
     602             :                                       'ion_O2p_N2                      ', 'ion_O2p_NO                      ', &
     603             :                                       'ion_Op_CO2                      ', 'ion_Op_N2                       ', &
     604             :                                       'ion_Op_O2                       ', 'E90_tau                         ', &
     605             :                                       'NH_50_tau                       ', 'NH_5_tau                        ', &
     606      305664 :                                       'ST80_25_tau                     ' /)
     607           0 :       rxt_tag_map(:rxt_tag_cnt) = (/    1,   2,   3,   4,   5,   6,   7,   8,   9,  10, &
     608             :                                        11,  12,  13,  14,  15,  16,  17,  18,  19,  20, &
     609             :                                        21,  22,  23,  24,  25,  26,  27,  28,  29,  30, &
     610             :                                        31,  32,  33,  34,  35,  36,  37,  38,  39,  40, &
     611             :                                        41,  42,  43,  44,  45,  46,  47,  48,  49,  50, &
     612             :                                        51,  52,  53,  54,  55,  56,  57,  58,  59,  60, &
     613             :                                        61,  62,  63,  64,  65,  66,  67,  68,  69,  70, &
     614             :                                        71,  72,  73,  74,  75,  76,  77,  78,  79,  80, &
     615             :                                        81,  82,  83,  84,  85,  86,  87,  88,  89,  90, &
     616             :                                        91,  92,  93,  94,  95,  96,  97,  98,  99, 100, &
     617             :                                       101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
     618             :                                       111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
     619             :                                       121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
     620             :                                       131, 132, 133, 134, 135, 136, 137, 138, 139, 140, &
     621             :                                       141, 142, 143, 144, 145, 146, 147, 148, 149, 150, &
     622             :                                       151, 152, 153, 154, 155, 156, 157, 158, 159, 160, &
     623             :                                       161, 162, 163, 164, 165, 166, 167, 168, 169, 170, &
     624             :                                       171, 172, 173, 174, 175, 176, 177, 178, 179, 180, &
     625             :                                       181, 182, 183, 184, 185, 186, 187, 188, 189, 190, &
     626             :                                       191, 192, 193, 194, 195, 196, 197, 198, 199, 200, &
     627             :                                       201, 202, 203, 204, 205, 206, 207, 208, 209, 210, &
     628             :                                       211, 212, 213, 214, 215, 216, 217, 218, 219, 220, &
     629             :                                       221, 222, 223, 224, 225, 226, 227, 228, 229, 230, &
     630             :                                       231, 232, 233, 234, 235, 236, 237, 238, 239, 240, &
     631             :                                       241, 242, 243, 244, 245, 246, 247, 248, 249, 250, &
     632             :                                       251, 252, 253, 254, 255, 256, 257, 258, 259, 260, &
     633             :                                       261, 262, 263, 264, 265, 266, 267, 268, 269, 270, &
     634             :                                       271, 272, 273, 274, 275, 276, 277, 278, 279, 280, &
     635             :                                       281, 282, 283, 284, 285, 286, 287, 288, 289, 290, &
     636             :                                       291, 292, 293, 294, 295, 296, 297, 298, 299, 300, &
     637             :                                       301, 302, 303, 304, 305, 306, 307, 308, 309, 310, &
     638             :                                       311, 312, 313, 314, 315, 316, 317, 318, 319, 320, &
     639             :                                       321, 322, 323, 324, 325, 326, 327, 328, 329, 330, &
     640             :                                       331, 332, 333, 334, 335, 336, 337, 338, 339, 340, &
     641             :                                       341, 342, 343, 344, 345, 346, 347, 348, 349, 350, &
     642             :                                       351, 352, 353, 354, 355, 356, 357, 358, 359, 360, &
     643             :                                       361, 362, 363, 364, 365, 366, 367, 368, 369, 370, &
     644             :                                       371, 372, 373, 374, 375, 376, 377, 378, 379, 380, &
     645             :                                       381, 382, 383, 384, 385, 386, 387, 388, 389, 390, &
     646             :                                       391, 392, 393, 394, 395, 396, 397, 398, 399, 400, &
     647             :                                       401, 402, 403, 404, 405, 406, 407, 408, 409, 410, &
     648             :                                       411, 412, 413, 414, 415, 416, 417, 418, 419, 420, &
     649             :                                       421, 422, 423, 424, 425, 426, 427, 428, 429, 430, &
     650             :                                       431, 432, 433, 434, 435, 436, 437, 438, 439, 440, &
     651             :                                       441, 442, 443, 444, 445, 446, 447, 448, 449, 450, &
     652             :                                       451, 452, 453, 454, 455, 456, 457, 458, 459, 460, &
     653             :                                       461, 462, 463, 464, 465, 466, 467, 468, 469, 470, &
     654             :                                       471, 472, 473, 474, 475, 476, 477, 478, 479, 480, &
     655             :                                       481, 482, 483, 484, 485, 486, 487, 488, 489, 490, &
     656             :                                       491, 492, 493, 494, 495, 496, 497, 498, 499, 500, &
     657             :                                       501, 502, 503, 504, 505, 506, 507, 508, 509, 510, &
     658             :                                       511, 512, 513, 514, 515, 516, 517, 518, 519, 520, &
     659             :                                       521, 522, 523, 524, 525, 526, 527, 528, 529, 530, &
     660             :                                       531, 532, 533, 534, 535, 536, 537, 538, 539, 540, &
     661             :                                       541, 542, 543, 544, 545, 546, 547, 548, 549, 550, &
     662             :                                       551, 552, 553, 554, 555, 556, 557, 558, 559, 560, &
     663             :                                       561, 562, 563, 564, 565, 566, 567, 568, 569, 570, &
     664             :                                       571, 572, 573, 574, 575, 576, 577, 578, 579, 580, &
     665             :                                       581, 582, 583, 584, 585, 586, 587, 588, 589, 590, &
     666      920064 :                                       591, 592, 593, 594, 595, 596, 597 /)
     667        1536 :       if( allocated( pht_alias_lst ) ) then
     668           0 :          deallocate( pht_alias_lst )
     669             :       end if
     670        1536 :       allocate( pht_alias_lst(phtcnt,2),stat=ios )
     671        1536 :       if( ios /= 0 ) then
     672           0 :          write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_lst; error = ',ios
     673           0 :          call endrun
     674             :       end if
     675        1536 :       if( allocated( pht_alias_mult ) ) then
     676           0 :          deallocate( pht_alias_mult )
     677             :       end if
     678        1536 :       allocate( pht_alias_mult(phtcnt,2),stat=ios )
     679        1536 :       if( ios /= 0 ) then
     680           0 :          write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_mult; error = ',ios
     681           0 :          call endrun
     682             :       end if
     683           0 :       pht_alias_lst(:,1) = (/ '                ', '                ', '                ', '                ', &
     684             :                               'userdefined     ', 'userdefined     ', '                ', '                ', &
     685             :                               '                ', '                ', '                ', '                ', &
     686             :                               '                ', '                ', 'userdefined     ', '                ', &
     687             :                               '                ', '                ', '                ', '                ', &
     688             :                               '                ', '                ', '                ', '                ', &
     689             :                               '                ', '                ', '                ', '                ', &
     690             :                               '                ', '                ', '                ', '                ', &
     691             :                               '                ', '                ', '                ', '                ', &
     692             :                               '                ', '                ', '                ', '                ', &
     693             :                               '                ', '                ', '                ', '                ', &
     694             :                               '                ', '                ', '                ', '                ', &
     695             :                               '                ', '                ', '                ', '                ', &
     696             :                               '                ', '                ', '                ', '                ', &
     697             :                               '                ', '                ', '                ', '                ', &
     698             :                               '                ', '                ', '                ', '                ', &
     699             :                               '                ', '                ', '                ', '                ', &
     700             :                               '                ', '                ', '                ', '                ', &
     701             :                               '                ', '                ', '                ', '                ', &
     702             :                               '                ', '                ', '                ', '                ', &
     703             :                               '                ', '                ', '                ', '                ', &
     704             :                               '                ', '                ', '                ', '                ', &
     705             :                               '                ', '                ', '                ', '                ', &
     706             :                               '                ', '                ', '                ', '                ', &
     707             :                               '                ', '                ', '                ', '                ', &
     708             :                               '                ', '                ', '                ', '                ', &
     709             :                               '                ', '                ', '                ', '                ', &
     710             :                               '                ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     711             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     712             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     713             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     714             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     715             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     716             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', '                ', &
     717             :                               '                ', '                ', '                ', '                ', &
     718             :                               '                ', '                ', '                ', '                ', &
     719             :                               '                ', '                ', '                ', '                ', &
     720      231936 :                               '                ', '                ' /)
     721           0 :       pht_alias_lst(:,2) = (/ '                ', '                ', '                ', '                ', &
     722             :                               '                ', '                ', '                ', '                ', &
     723             :                               '                ', '                ', '                ', '                ', &
     724             :                               '                ', '                ', '                ', '                ', &
     725             :                               '                ', '                ', '                ', 'jch3ooh         ', &
     726             :                               'jch3ooh         ', 'jch3ooh         ', 'jno2            ', 'jno2            ', &
     727             :                               'jno2            ', 'jno2            ', 'jno2            ', 'jno2            ', &
     728             :                               'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', &
     729             :                               '                ', '                ', '                ', '                ', &
     730             :                               '                ', 'jh2o2           ', '                ', '                ', &
     731             :                               '                ', '                ', 'jch3ooh         ', '                ', &
     732             :                               'jmgly           ', 'jch2o_a         ', 'jno2            ', '                ', &
     733             :                               'jch3ooh         ', 'jch3ooh         ', '                ', '                ', &
     734             :                               'jacet           ', 'jch3ooh         ', 'jpan            ', '                ', &
     735             :                               'jch2o_a         ', 'jch2o_a         ', 'jch3ooh         ', 'jch3cho         ', &
     736             :                               '                ', 'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', &
     737             :                               'jno2            ', 'jch3ooh         ', 'jch3ooh         ', 'jch3ooh         ', &
     738             :                               'jch3cho         ', 'jch3cho         ', 'jch3ooh         ', 'jch3ooh         ', &
     739             :                               'jch3ooh         ', 'jch3ooh         ', '                ', '                ', &
     740             :                               '                ', '                ', '                ', '                ', &
     741             :                               '                ', '                ', '                ', '                ', &
     742             :                               '                ', '                ', '                ', '                ', &
     743             :                               '                ', '                ', '                ', '                ', &
     744             :                               '                ', '                ', '                ', '                ', &
     745             :                               '                ', '                ', '                ', '                ', &
     746             :                               '                ', '                ', '                ', '                ', &
     747             :                               '                ', '                ', '                ', '                ', &
     748             :                               '                ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     749             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     750             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     751             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     752             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     753             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', 'userdefined     ', &
     754             :                               'userdefined     ', 'userdefined     ', 'userdefined     ', '                ', &
     755             :                               '                ', '                ', '                ', '                ', &
     756             :                               'jno2            ', 'jno2            ', 'jno2            ', 'jno2            ', &
     757             :                               'jno2            ', 'jno2            ', 'jno2            ', 'jno2            ', &
     758      231936 :                               'jno2            ', 'jno2            ' /)
     759           0 :       pht_alias_mult(:,1) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     760             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     761             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     762             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     763             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     764             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     765             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     766             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     767             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     768             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     769             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     770             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     771             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     772             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     773             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     774             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     775             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     776             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     777             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     778             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     779             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     780             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     781             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     782             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     783             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     784             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     785             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     786             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     787             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     788      231936 :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8 /)
     789           0 :       pht_alias_mult(:,2) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     790             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     791             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     792             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     793             :                           1._r8, 1._r8, .10_r8, 0.2_r8, .14_r8, &
     794             :                           .20_r8, .20_r8, .006_r8, 1._r8, 1._r8, &
     795             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     796             :                           1._r8, 1._r8, 0.28_r8, 1._r8, 1._r8, &
     797             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     798             :                           1._r8, .006_r8, 1._r8, 1._r8, 1._r8, &
     799             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     800             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     801             :                           1._r8, 1._r8, 1._r8, 1._r8, .10_r8, &
     802             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     803             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     804             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     805             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     806             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     807             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     808             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     809             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     810             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     811             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     812             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     813             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     814             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     815             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     816             :                           1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
     817             :                           .0004_r8, .0004_r8, .0004_r8, .0004_r8, .0004_r8, &
     818      231936 :                           .0004_r8, .0004_r8, .0004_r8, .0004_r8, .0004_r8 /)
     819        1536 :       allocate( cph_enthalpy(enthalpy_cnt),stat=ios )
     820        1536 :       if( ios /= 0 ) then
     821           0 :          write(iulog,*) 'set_sim_dat: failed to allocate cph_enthalpy; error = ',ios
     822           0 :          call endrun
     823             :       end if
     824        1536 :       allocate( cph_rid(enthalpy_cnt),stat=ios )
     825        1536 :       if( ios /= 0 ) then
     826           0 :          write(iulog,*) 'set_sim_dat: failed to allocate cph_rid; error = ',ios
     827           0 :          call endrun
     828             :       end if
     829             :       cph_rid(:)      = (/             155,            156,            157,            159,            160, &
     830             :                                        161,            163,            164,            165,            166, &
     831             :                                        167,            168,            169,            172,            175, &
     832             :                                        176,            177,            178,            181,            182, &
     833             :                                        183,            186,            188,            189,            190, &
     834             :                                        194,            195,            203,            204,            579, &
     835             :                                        580,            581,            582,            583,            585, &
     836             :                                        586,            587,            588,            590,            592, &
     837       64512 :                                        593 /)
     838             :       cph_enthalpy(:) = (/   189.810000_r8,   32.910000_r8,  189.810000_r8,   94.300000_r8,   94.300000_r8, &
     839             :                               94.300000_r8,   62.600000_r8,   62.600000_r8,   62.600000_r8,   62.600000_r8, &
     840             :                              392.190000_r8,  493.580000_r8,  101.390000_r8,  232.590000_r8,  203.400000_r8, &
     841             :                              226.580000_r8,  120.100000_r8,  194.710000_r8,  293.620000_r8,   67.670000_r8, &
     842             :                              165.300000_r8,  165.510000_r8,  229.610000_r8,  177.510000_r8,  313.750000_r8, &
     843             :                              133.750000_r8,  193.020000_r8,   34.470000_r8,  199.170000_r8,   82.389000_r8, &
     844             :                              508.950000_r8,  354.830000_r8,  339.590000_r8,   67.530000_r8,   95.550000_r8, &
     845             :                              239.840000_r8,  646.280000_r8,  406.160000_r8,  271.380000_r8,  105.040000_r8, &
     846       64512 :                              150.110000_r8 /)
     847        1536 :       allocate( num_rnts(rxntot-phtcnt),stat=ios )
     848        1536 :       if( ios /= 0 ) then
     849           0 :          write(iulog,*) 'set_sim_dat: failed to allocate num_rnts; error = ',ios
     850           0 :          call endrun
     851             :       end if
     852             :       num_rnts(:) = (/      1,     1,     2,     2,     2,     2,     2,     2,     2,     2, &
     853             :                             2,     2,     2,     2,     2,     2,     2,     3,     3,     2, &
     854             :                             2,     2,     2,     2,     3,     2,     2,     2,     2,     2, &
     855             :                             2,     2,     2,     2,     3,     2,     2,     2,     2,     2, &
     856             :                             2,     2,     2,     2,     2,     2,     3,     2,     2,     2, &
     857             :                             2,     2,     2,     2,     3,     2,     2,     3,     3,     3, &
     858             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     859             :                             2,     2,     2,     2,     2,     2,     2,     3,     2,     2, &
     860             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     861             :                             2,     2,     2,     2,     2,     2,     2,     3,     2,     2, &
     862             :                             2,     2,     2,     2,     2,     2,     2,     2,     3,     2, &
     863             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     864             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     865             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     866             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     867             :                             2,     2,     2,     2,     3,     2,     2,     1,     2,     2, &
     868             :                             2,     2,     2,     2,     3,     3,     3,     2,     2,     2, &
     869             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     870             :                             2,     2,     2,     2,     2,     2,     2,     1,     2,     2, &
     871             :                             2,     2,     3,     3,     2,     2,     2,     2,     2,     2, &
     872             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     873             :                             2,     2,     2,     2,     3,     2,     2,     2,     2,     2, &
     874             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     875             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     876             :                             3,     2,     2,     3,     2,     2,     2,     2,     2,     2, &
     877             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     878             :                             2,     2,     1,     2,     2,     2,     2,     2,     2,     2, &
     879             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     880             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     881             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     882             :                             2,     3,     2,     2,     3,     2,     2,     3,     2,     2, &
     883             :                             2,     2,     2,     2,     3,     2,     2,     2,     2,     2, &
     884             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     885             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     886             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     887             :                             2,     2,     2,     2,     2,     2,     3,     2,     2,     2, &
     888             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     1, &
     889             :                             1,     1,     1,     1,     1,     1,     1,     1,     1,     1, &
     890             :                             1,     1,     1,     2,     2,     2,     2,     2,     2,     2, &
     891             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     892             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     893             :                             2,     1,     2,     1,     1,     1,     1,     2,     2,     2, &
     894             :                             1,     1,     2,     2,     2,     1,     1,     2,     2,     2, &
     895             :                             2,     2,     2,     2,     2,     2,     2,     2,     2,     2, &
     896      688128 :                             2,     2,     2,     1,     1,     1,     1 /)
     897             : 
     898        1536 :       end subroutine set_sim_dat
     899             : 
     900             :       end module mo_sim_dat

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