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, 261, 0 /)
35 :
36 7680 : cls_rxt_cnt(:,1) = (/ 9, 0, 0, 2 /)
37 7680 : cls_rxt_cnt(:,4) = (/ 2, 182, 378, 261 /)
38 :
39 : solsym(:263) = (/ 'ALKNIT ','ALKOOH ','AOA_NH ','bc_a1 ','bc_a4 ', &
40 : 'BCARY ','BCARYO2VBS ','BENZENE ','BENZO2VBS ','BENZOOH ', &
41 : 'BEPOMUC ','BIGALD ','BIGALD1 ','BIGALD2 ','BIGALD3 ', &
42 : 'BIGALD4 ','BIGALK ','BIGENE ','BR ','BRCL ', &
43 : 'BRO ','BRONO2 ','BRY ','BZALD ','BZOOH ', &
44 : 'C2H2 ','C2H4 ','C2H5OH ','C2H5OOH ','C2H6 ', &
45 : 'C3H6 ','C3H7OOH ','C3H8 ','C6H5OOH ','CCL4 ', &
46 : 'CF2CLBR ','CF3BR ','CFC11 ','CFC113 ','CFC114 ', &
47 : 'CFC115 ','CFC12 ','CH2BR2 ','CH2O ','CH3BR ', &
48 : 'CH3CCL3 ','CH3CHO ','CH3CL ','CH3CN ','CH3COCH3 ', &
49 : 'CH3COCHO ','CH3COOH ','CH3COOOH ','CH3OH ','CH3OOH ', &
50 : 'CH4 ','CHBR3 ','CL ','CL2 ','CL2O2 ', &
51 : 'CLO ','CLONO2 ','CLY ','CO ','CO2 ', &
52 : 'COF2 ','COFCL ','CRESOL ','DMS ','dst_a1 ', &
53 : 'dst_a2 ','dst_a3 ','E90 ','EOOH ','F ', &
54 : 'GLYALD ','GLYOXAL ','H ','H2 ','H2402 ', &
55 : 'H2O2 ','H2SO4 ','HBR ','HCFC141B ','HCFC142B ', &
56 : 'HCFC22 ','HCL ','HCN ','HCOOH ','HF ', &
57 : 'HNO3 ','HO2NO2 ','HOBR ','HOCL ','HONITR ', &
58 : 'HPALD ','HYAC ','HYDRALD ','IEPOX ','ISOP ', &
59 : 'ISOPNITA ','ISOPNITB ','ISOPNO3 ','ISOPNOOH ','ISOPO2VBS ', &
60 : 'ISOPOOH ','IVOCbb ','IVOCbbO2VBS ','IVOCff ','IVOCffO2VBS ', &
61 : 'MACR ','MACROOH ','MEK ','MEKOOH ','MPAN ', &
62 : 'MTERP ','MTERPO2VBS ','MVK ','N ','N2O ', &
63 : 'N2O5 ','NC4CH2OH ','NC4CHO ','ncl_a1 ','ncl_a2 ', &
64 : 'ncl_a3 ','NH3 ','NH4 ','NO ','NO2 ', &
65 : 'NO3 ','NOA ','NTERPOOH ','num_a1 ','num_a2 ', &
66 : 'num_a3 ','num_a4 ','num_a5 ','O ','O3 ', &
67 : 'O3S ','OCLO ','OCS ','ONITR ','PAN ', &
68 : 'PBZNIT ','PHENO ','PHENOL ','PHENOOH ','pombb1_a1 ', &
69 : 'pombb1_a4 ','pomff1_a1 ','pomff1_a4 ','POOH ','ROOH ', &
70 : 'S ','SF6 ','SO ','SO2 ','SO3 ', &
71 : 'so4_a1 ','so4_a2 ','so4_a3 ','so4_a5 ','soabb1_a1 ', &
72 : 'soabb1_a2 ','soabb2_a1 ','soabb2_a2 ','soabb3_a1 ','soabb3_a2 ', &
73 : 'soabb4_a1 ','soabb4_a2 ','soabb5_a1 ','soabb5_a2 ','soabg1_a1 ', &
74 : 'soabg1_a2 ','soabg2_a1 ','soabg2_a2 ','soabg3_a1 ','soabg3_a2 ', &
75 : 'soabg4_a1 ','soabg4_a2 ','soabg5_a1 ','soabg5_a2 ','soaff1_a1 ', &
76 : 'soaff1_a2 ','soaff2_a1 ','soaff2_a2 ','soaff3_a1 ','soaff3_a2 ', &
77 : 'soaff4_a1 ','soaff4_a2 ','soaff5_a1 ','soaff5_a2 ','SOAGbb0 ', &
78 : 'SOAGbb1 ','SOAGbb2 ','SOAGbb3 ','SOAGbb4 ','SOAGbg0 ', &
79 : 'SOAGbg1 ','SOAGbg2 ','SOAGbg3 ','SOAGbg4 ','SOAGff0 ', &
80 : 'SOAGff1 ','SOAGff2 ','SOAGff3 ','SOAGff4 ','SVOCbb ', &
81 : 'SVOCff ','TEPOMUC ','TERP2OOH ','TERPNIT ','TERPOOH ', &
82 : 'TERPROD1 ','TERPROD2 ','TOLOOH ','TOLUENE ','TOLUO2VBS ', &
83 : 'XOOH ','XYLENES ','XYLENOOH ','XYLEO2VBS ','XYLOL ', &
84 : 'XYLOLOOH ','NHDEP ','NDEP ','ACBZO2 ','ALKO2 ', &
85 : 'BENZO2 ','BZOO ','C2H5O2 ','C3H7O2 ','C6H5O2 ', &
86 : 'CH3CO3 ','CH3O2 ','DICARBO2 ','ENEO2 ','EO ', &
87 : 'EO2 ','HO2 ','HOCH2OO ','ISOPAO2 ','ISOPBO2 ', &
88 : 'MACRO2 ','MALO2 ','MCO3 ','MDIALO2 ','MEKO2 ', &
89 : 'NTERPO2 ','O1D ','OH ','PHENO2 ','PO2 ', &
90 : 'RO2 ','TERP2O2 ','TERPO2 ','TOLO2 ','XO2 ', &
91 405504 : 'XYLENO2 ','XYLOLO2 ','H2O ' /)
92 :
93 : adv_mass(:263) = (/ 133.141340_r8, 104.142600_r8, 28.010400_r8, 12.011000_r8, 12.011000_r8, &
94 : 204.342600_r8, 253.348200_r8, 78.110400_r8, 159.114800_r8, 160.122200_r8, &
95 : 126.108600_r8, 98.098200_r8, 84.072400_r8, 98.098200_r8, 98.098200_r8, &
96 : 112.124000_r8, 72.143800_r8, 56.103200_r8, 79.904000_r8, 115.356700_r8, &
97 : 95.903400_r8, 141.908940_r8, 99.716850_r8, 106.120800_r8, 124.135000_r8, &
98 : 26.036800_r8, 28.051600_r8, 46.065800_r8, 62.065200_r8, 30.066400_r8, &
99 : 42.077400_r8, 76.091000_r8, 44.092200_r8, 110.109200_r8, 153.821800_r8, &
100 : 165.364506_r8, 148.910210_r8, 137.367503_r8, 187.375310_r8, 170.921013_r8, &
101 : 154.466716_r8, 120.913206_r8, 173.833800_r8, 30.025200_r8, 94.937200_r8, &
102 : 133.402300_r8, 44.051000_r8, 50.485900_r8, 41.050940_r8, 58.076800_r8, &
103 : 72.061400_r8, 60.050400_r8, 76.049800_r8, 32.040000_r8, 48.039400_r8, &
104 : 16.040600_r8, 252.730400_r8, 35.452700_r8, 70.905400_r8, 102.904200_r8, &
105 : 51.452100_r8, 97.457640_r8, 100.916850_r8, 28.010400_r8, 44.009800_r8, &
106 : 66.007206_r8, 82.461503_r8, 108.135600_r8, 62.132400_r8, 135.064039_r8, &
107 : 135.064039_r8, 135.064039_r8, 28.010400_r8, 78.064600_r8, 18.998403_r8, &
108 : 60.050400_r8, 58.035600_r8, 1.007400_r8, 2.014800_r8, 259.823613_r8, &
109 : 34.013600_r8, 98.078400_r8, 80.911400_r8, 116.948003_r8, 100.493706_r8, &
110 : 86.467906_r8, 36.460100_r8, 27.025140_r8, 46.024600_r8, 20.005803_r8, &
111 : 63.012340_r8, 79.011740_r8, 96.910800_r8, 52.459500_r8, 135.114940_r8, &
112 : 116.112400_r8, 74.076200_r8, 100.113000_r8, 118.127200_r8, 68.114200_r8, &
113 : 147.125940_r8, 147.125940_r8, 162.117940_r8, 163.125340_r8, 117.119800_r8, &
114 : 118.127200_r8, 184.350200_r8, 233.355800_r8, 184.350200_r8, 233.355800_r8, &
115 : 70.087800_r8, 120.100800_r8, 72.102600_r8, 104.101400_r8, 147.084740_r8, &
116 : 136.228400_r8, 185.234000_r8, 70.087800_r8, 14.006740_r8, 44.012880_r8, &
117 : 108.010480_r8, 147.125940_r8, 145.111140_r8, 58.442468_r8, 58.442468_r8, &
118 : 58.442468_r8, 17.028940_r8, 18.036340_r8, 30.006140_r8, 46.005540_r8, &
119 : 62.004940_r8, 119.074340_r8, 231.239540_r8, 1.007400_r8, 1.007400_r8, &
120 : 1.007400_r8, 1.007400_r8, 1.007400_r8, 15.999400_r8, 47.998200_r8, &
121 : 47.998200_r8, 67.451500_r8, 60.076400_r8, 133.100140_r8, 121.047940_r8, &
122 : 183.117740_r8, 93.102400_r8, 94.109800_r8, 176.121600_r8, 12.011000_r8, &
123 : 12.011000_r8, 12.011000_r8, 12.011000_r8, 92.090400_r8, 90.075600_r8, &
124 : 32.066000_r8, 146.056419_r8, 48.065400_r8, 64.064800_r8, 80.064200_r8, &
125 : 115.107340_r8, 115.107340_r8, 115.107340_r8, 115.107340_r8, 250.445000_r8, &
126 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
127 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
128 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
129 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
130 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
131 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
132 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
133 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, &
134 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 250.445000_r8, 310.582400_r8, &
135 : 310.582400_r8, 140.134400_r8, 200.226000_r8, 215.240140_r8, 186.241400_r8, &
136 : 168.227200_r8, 154.201400_r8, 174.148000_r8, 92.136200_r8, 173.140600_r8, &
137 : 150.126000_r8, 106.162000_r8, 188.173800_r8, 187.166400_r8, 122.161400_r8, &
138 : 204.173200_r8, 14.006740_r8, 14.006740_r8, 137.112200_r8, 103.135200_r8, &
139 : 159.114800_r8, 123.127600_r8, 61.057800_r8, 75.083600_r8, 109.101800_r8, &
140 : 75.042400_r8, 47.032000_r8, 129.089600_r8, 105.108800_r8, 61.057800_r8, &
141 : 77.057200_r8, 33.006200_r8, 63.031400_r8, 117.119800_r8, 117.119800_r8, &
142 : 119.093400_r8, 115.063800_r8, 101.079200_r8, 117.078600_r8, 103.094000_r8, &
143 : 230.232140_r8, 15.999400_r8, 17.006800_r8, 175.114200_r8, 91.083000_r8, &
144 : 89.068200_r8, 199.218600_r8, 185.234000_r8, 173.140600_r8, 149.118600_r8, &
145 1536 : 187.166400_r8, 203.165800_r8, 18.014200_r8 /)
146 :
147 : crb_mass(:263) = (/ 60.055000_r8, 60.055000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, &
148 : 180.165000_r8, 180.165000_r8, 72.066000_r8, 72.066000_r8, 72.066000_r8, &
149 : 72.066000_r8, 60.055000_r8, 48.044000_r8, 60.055000_r8, 60.055000_r8, &
150 : 72.066000_r8, 60.055000_r8, 48.044000_r8, 0.000000_r8, 0.000000_r8, &
151 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 84.077000_r8, 84.077000_r8, &
152 : 24.022000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, &
153 : 36.033000_r8, 36.033000_r8, 36.033000_r8, 72.066000_r8, 12.011000_r8, &
154 : 12.011000_r8, 12.011000_r8, 12.011000_r8, 24.022000_r8, 24.022000_r8, &
155 : 24.022000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, &
156 : 24.022000_r8, 24.022000_r8, 12.011000_r8, 24.022000_r8, 36.033000_r8, &
157 : 36.033000_r8, 24.022000_r8, 24.022000_r8, 12.011000_r8, 12.011000_r8, &
158 : 12.011000_r8, 12.011000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, &
159 : 0.000000_r8, 0.000000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, &
160 : 12.011000_r8, 12.011000_r8, 84.077000_r8, 24.022000_r8, 0.000000_r8, &
161 : 0.000000_r8, 0.000000_r8, 12.011000_r8, 24.022000_r8, 0.000000_r8, &
162 : 24.022000_r8, 24.022000_r8, 0.000000_r8, 0.000000_r8, 24.022000_r8, &
163 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 24.022000_r8, 24.022000_r8, &
164 : 12.011000_r8, 0.000000_r8, 12.011000_r8, 12.011000_r8, 0.000000_r8, &
165 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 48.044000_r8, &
166 : 60.055000_r8, 36.033000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, &
167 : 60.055000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, &
168 : 60.055000_r8, 156.143000_r8, 156.143000_r8, 156.143000_r8, 156.143000_r8, &
169 : 48.044000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, &
170 : 120.110000_r8, 120.110000_r8, 48.044000_r8, 0.000000_r8, 0.000000_r8, &
171 : 0.000000_r8, 60.055000_r8, 60.055000_r8, 0.000000_r8, 0.000000_r8, &
172 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, &
173 : 0.000000_r8, 36.033000_r8, 120.110000_r8, 0.000000_r8, 0.000000_r8, &
174 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, &
175 : 0.000000_r8, 0.000000_r8, 12.011000_r8, 48.044000_r8, 24.022000_r8, &
176 : 84.077000_r8, 72.066000_r8, 72.066000_r8, 72.066000_r8, 12.011000_r8, &
177 : 12.011000_r8, 12.011000_r8, 12.011000_r8, 36.033000_r8, 36.033000_r8, &
178 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, &
179 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 180.165000_r8, &
180 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
181 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
182 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
183 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
184 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
185 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
186 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
187 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, &
188 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 180.165000_r8, 264.242000_r8, &
189 : 264.242000_r8, 84.077000_r8, 120.110000_r8, 120.110000_r8, 120.110000_r8, &
190 : 120.110000_r8, 108.099000_r8, 84.077000_r8, 84.077000_r8, 84.077000_r8, &
191 : 60.055000_r8, 96.088000_r8, 96.088000_r8, 96.088000_r8, 96.088000_r8, &
192 : 96.088000_r8, 0.000000_r8, 0.000000_r8, 84.077000_r8, 60.055000_r8, &
193 : 72.066000_r8, 84.077000_r8, 24.022000_r8, 36.033000_r8, 72.066000_r8, &
194 : 24.022000_r8, 12.011000_r8, 60.055000_r8, 48.044000_r8, 24.022000_r8, &
195 : 24.022000_r8, 0.000000_r8, 12.011000_r8, 60.055000_r8, 60.055000_r8, &
196 : 48.044000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, &
197 : 120.110000_r8, 0.000000_r8, 0.000000_r8, 72.066000_r8, 36.033000_r8, &
198 : 36.033000_r8, 120.110000_r8, 120.110000_r8, 84.077000_r8, 60.055000_r8, &
199 1536 : 96.088000_r8, 96.088000_r8, 0.000000_r8 /)
200 :
201 1536 : fix_mass(: 3) = (/ 0.00000000_r8, 31.9988000_r8, 28.0134800_r8 /)
202 :
203 4608 : clsmap(: 2,1) = (/ 227, 228 /)
204 : clsmap(:261,4) = (/ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, &
205 : 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, &
206 : 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, &
207 : 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, &
208 : 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, &
209 : 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, &
210 : 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, &
211 : 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, &
212 : 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, &
213 : 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, &
214 : 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
215 : 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
216 : 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
217 : 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, &
218 : 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, &
219 : 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, &
220 : 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, &
221 : 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, &
222 : 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, &
223 : 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, &
224 : 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, &
225 : 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, &
226 : 221, 222, 223, 224, 225, 226, 229, 230, 231, 232, &
227 : 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, &
228 : 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, &
229 : 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, &
230 402432 : 263 /)
231 :
232 : permute(:261,4) = (/ 186, 185, 1, 2, 3, 217, 71, 104, 81, 156, &
233 : 105, 149, 161, 129, 180, 136, 116, 144, 243, 118, &
234 : 252, 172, 4, 119, 139, 130, 175, 126, 140, 131, &
235 : 219, 150, 91, 127, 87, 98, 99, 92, 100, 93, &
236 : 101, 94, 162, 247, 178, 95, 221, 145, 88, 214, &
237 : 234, 190, 179, 200, 153, 244, 154, 257, 107, 89, &
238 : 260, 213, 5, 225, 205, 121, 123, 111, 135, 6, &
239 : 7, 8, 9, 102, 209, 222, 216, 246, 242, 90, &
240 : 181, 103, 202, 122, 124, 132, 255, 109, 215, 133, &
241 : 245, 151, 199, 203, 226, 120, 227, 141, 96, 206, &
242 : 177, 174, 232, 148, 72, 195, 65, 64, 80, 79, &
243 : 233, 142, 168, 143, 182, 211, 73, 239, 165, 108, &
244 : 134, 155, 220, 10, 11, 12, 86, 13, 253, 248, &
245 : 256, 207, 152, 14, 15, 16, 17, 18, 249, 258, &
246 : 19, 137, 146, 117, 171, 97, 164, 106, 138, 20, &
247 : 21, 22, 23, 173, 147, 169, 24, 235, 208, 125, &
248 : 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, &
249 : 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, &
250 : 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, &
251 : 55, 56, 57, 58, 59, 60, 61, 62, 63, 66, &
252 : 67, 68, 69, 70, 74, 75, 76, 77, 78, 82, &
253 : 83, 112, 188, 183, 163, 218, 224, 189, 110, 84, &
254 : 113, 114, 191, 85, 115, 157, 170, 212, 166, 158, &
255 : 204, 201, 184, 241, 254, 197, 176, 128, 192, 259, &
256 : 159, 236, 237, 238, 193, 240, 210, 187, 223, 250, &
257 : 251, 160, 198, 230, 228, 229, 194, 231, 196, 167, &
258 402432 : 261 /)
259 :
260 : diag_map(:261) = (/ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, &
261 : 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, &
262 : 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, &
263 : 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, &
264 : 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, &
265 : 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, &
266 : 61, 62, 63, 69, 71, 72, 73, 74, 75, 76, &
267 : 82, 88, 94, 95, 96, 97, 98, 99, 105, 107, &
268 : 113, 119, 125, 131, 137, 138, 141, 144, 147, 150, &
269 : 154, 158, 162, 166, 170, 174, 177, 180, 185, 190, &
270 : 195, 200, 203, 207, 213, 217, 222, 224, 227, 232, &
271 : 239, 244, 248, 253, 261, 266, 269, 272, 275, 278, &
272 : 283, 286, 291, 296, 302, 306, 310, 314, 318, 321, &
273 : 327, 334, 340, 343, 349, 355, 360, 365, 371, 376, &
274 : 381, 384, 389, 394, 402, 410, 418, 424, 430, 436, &
275 : 442, 448, 454, 460, 466, 472, 478, 486, 492, 499, &
276 : 505, 508, 515, 522, 527, 536, 544, 551, 556, 563, &
277 : 569, 577, 585, 593, 601, 609, 617, 626, 635, 642, &
278 : 646, 653, 662, 670, 677, 688, 699, 706, 719, 729, &
279 : 738, 751, 758, 769, 780, 793, 804, 813, 823, 831, &
280 : 836, 846, 855, 865, 873, 879, 895, 902, 909, 918, &
281 : 936, 960, 972, 982, 989, 997,1015,1035,1048,1069, &
282 : 1081,1092,1102,1116,1127,1136,1149,1163,1184,1200, &
283 : 1217,1237,1253,1265,1276,1301,1334,1358,1379,1401, &
284 : 1433,1448,1462,1477,1494,1510,1532,1576,1608,1650, &
285 : 1823,1848,1952,2005,2029,2089,2129,2192,2311,2338, &
286 1536 : 2365 /)
287 :
288 : extfrc_lst(: 20) = (/ 'bc_a1 ','bc_a4 ','CO ','NO ','NO2 ', &
289 : 'num_a1 ','num_a2 ','num_a4 ','num_a5 ','SO2 ', &
290 : 'so4_a1 ','so4_a2 ','so4_a5 ','SVOCbb ','SVOCff ', &
291 32256 : 'pomff1_a4 ','pombb1_a4 ','AOA_NH ','N ','OH ' /)
292 :
293 : frc_from_dataset(: 20) = (/ .true., .true., .true., .true., .true., &
294 : .true., .true., .true., .true., .true., &
295 : .true., .true., .true., .true., .true., &
296 1536 : .true., .true., .false., .false., .false. /)
297 :
298 6144 : inv_lst(: 3) = (/ 'M ', 'O2 ', 'N2 ' /)
299 :
300 : slvd_lst(: 34) = (/ 'ACBZO2 ', 'ALKO2 ', 'BENZO2 ', 'BZOO ', 'C2H5O2 ', &
301 : 'C3H7O2 ', 'C6H5O2 ', 'CH3CO3 ', 'CH3O2 ', 'DICARBO2 ', &
302 : 'ENEO2 ', 'EO ', 'EO2 ', 'HO2 ', 'HOCH2OO ', &
303 : 'ISOPAO2 ', 'ISOPBO2 ', 'MACRO2 ', 'MALO2 ', 'MCO3 ', &
304 : 'MDIALO2 ', 'MEKO2 ', 'NTERPO2 ', 'O1D ', 'OH ', &
305 : 'PHENO2 ', 'PO2 ', 'RO2 ', 'TERP2O2 ', 'TERPO2 ', &
306 53760 : 'TOLO2 ', 'XO2 ', 'XYLENO2 ', 'XYLOLO2 ' /)
307 :
308 1536 : if( allocated( rxt_tag_lst ) ) then
309 0 : deallocate( rxt_tag_lst )
310 : end if
311 1536 : allocate( rxt_tag_lst(rxt_tag_cnt),stat=ios )
312 1536 : if( ios /= 0 ) then
313 0 : write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_lst; error = ',ios
314 0 : call endrun
315 : end if
316 1536 : if( allocated( rxt_tag_map ) ) then
317 0 : deallocate( rxt_tag_map )
318 : end if
319 1536 : allocate( rxt_tag_map(rxt_tag_cnt),stat=ios )
320 1536 : if( ios /= 0 ) then
321 0 : write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_map; error = ',ios
322 0 : call endrun
323 : end if
324 1536 : rxt_tag_lst( 1: 200) = (/ 'jh2o_b ', 'jh2o_a ', &
325 : 'jh2o_c ', 'jh2o2 ', &
326 : 'jo2_a ', 'jo2_b ', &
327 : 'jo3_a ', 'jo3_b ', &
328 : 'jhno3 ', 'jho2no2_a ', &
329 : 'jho2no2_b ', 'jn2o ', &
330 : 'jn2o5_b ', 'jn2o5_a ', &
331 : 'jno ', 'jno2 ', &
332 : 'jno3_b ', 'jno3_a ', &
333 : 'jalknit ', 'jalkooh ', &
334 : 'jbenzooh ', 'jbepomuc ', &
335 : 'jbigald ', 'jbigald1 ', &
336 : 'jbigald2 ', 'jbigald3 ', &
337 : 'jbigald4 ', 'jbzooh ', &
338 : 'jc2h5ooh ', 'jc3h7ooh ', &
339 : 'jc6h5ooh ', 'jch2o_b ', &
340 : 'jch2o_a ', 'jch3cho ', &
341 : 'jacet ', 'jmgly ', &
342 : 'jch3co3h ', 'jch3ooh ', &
343 : 'jch4_b ', 'jch4_a ', &
344 : 'jco2 ', 'jeooh ', &
345 : 'jglyald ', 'jglyoxal ', &
346 : 'jhonitr ', 'jhpald ', &
347 : 'jhyac ', 'jisopnooh ', &
348 : 'jisopooh ', 'jmacr_b ', &
349 : 'jmacr_a ', 'jmek ', &
350 : 'jmekooh ', 'jmpan ', &
351 : 'jmvk ', 'jnc4cho ', &
352 : 'jnoa ', 'jnterpooh ', &
353 : 'jonitr ', 'jpan ', &
354 : 'jphenooh ', 'jpooh ', &
355 : 'jrooh ', 'jtepomuc ', &
356 : 'jterp2ooh ', 'jterpnit ', &
357 : 'jterpooh ', 'jterprd1 ', &
358 : 'jterprd2 ', 'jtolooh ', &
359 : 'jxooh ', 'jxylenooh ', &
360 : 'jxylolooh ', 'jbrcl ', &
361 : 'jbro ', 'jbrono2_b ', &
362 : 'jbrono2_a ', 'jccl4 ', &
363 : 'jcf2clbr ', 'jcf3br ', &
364 : 'jcfcl3 ', 'jcfc113 ', &
365 : 'jcfc114 ', 'jcfc115 ', &
366 : 'jcf2cl2 ', 'jch2br2 ', &
367 : 'jch3br ', 'jch3ccl3 ', &
368 : 'jch3cl ', 'jchbr3 ', &
369 : 'jcl2 ', 'jcl2o2 ', &
370 : 'jclo ', 'jclono2_b ', &
371 : 'jclono2_a ', 'jcof2 ', &
372 : 'jcofcl ', 'jh2402 ', &
373 : 'jhbr ', 'jhcfc141b ', &
374 : 'jhcfc142b ', 'jhcfc22 ', &
375 : 'jhcl ', 'jhf ', &
376 : 'jhobr ', 'jhocl ', &
377 : 'joclo ', 'jsf6 ', &
378 : 'jh2so4 ', 'jocs ', &
379 : 'jso ', 'jso2 ', &
380 : 'jso3 ', 'jsoabb1_a1 ', &
381 : 'jsoabb1_a2 ', 'jsoabb2_a1 ', &
382 : 'jsoabb2_a2 ', 'jsoabb3_a1 ', &
383 : 'jsoabb3_a2 ', 'jsoabb4_a1 ', &
384 : 'jsoabb4_a2 ', 'jsoabb5_a1 ', &
385 : 'jsoabb5_a2 ', 'jsoabg1_a1 ', &
386 : 'jsoabg1_a2 ', 'jsoabg2_a1 ', &
387 : 'jsoabg2_a2 ', 'jsoabg3_a1 ', &
388 : 'jsoabg3_a2 ', 'jsoabg4_a1 ', &
389 : 'jsoabg4_a2 ', 'jsoabg5_a1 ', &
390 : 'jsoabg5_a2 ', 'jsoaff1_a1 ', &
391 : 'jsoaff1_a2 ', 'jsoaff2_a1 ', &
392 : 'jsoaff2_a2 ', 'jsoaff3_a1 ', &
393 : 'jsoaff3_a2 ', 'jsoaff4_a1 ', &
394 : 'jsoaff4_a2 ', 'jsoaff5_a1 ', &
395 : 'jsoaff5_a2 ', 'O1D_H2 ', &
396 : 'O1D_H2O ', 'O1D_N2 ', &
397 : 'O1D_O2ab ', 'O1D_O3 ', &
398 : 'O_O3 ', 'usr_O_O ', &
399 : 'usr_O_O2 ', 'H2_O ', &
400 : 'H2O2_O ', 'H_HO2 ', &
401 : 'H_HO2a ', 'H_HO2b ', &
402 : 'H_O2 ', 'HO2_O ', &
403 : 'HO2_O3 ', 'H_O3 ', &
404 : 'OH_H2 ', 'OH_H2O2 ', &
405 : 'OH_HO2 ', 'OH_O ', &
406 : 'OH_O3 ', 'OH_OH ', &
407 : 'OH_OH_M ', 'usr_HO2_HO2 ', &
408 : 'HO2NO2_OH ', 'N_NO ', &
409 : 'N_NO2a ', 'N_NO2b ', &
410 : 'N_NO2c ', 'N_O2 ', &
411 : 'NO2_O ', 'NO2_O3 ', &
412 : 'NO2_O_M ', 'NO3_HO2 ', &
413 : 'NO3_NO ', 'NO3_O ', &
414 : 'NO3_OH ', 'N_OH ', &
415 : 'NO_HO2 ', 'NO_O3 ', &
416 : 'NO_O_M ', 'O1D_N2Oa ', &
417 : 'O1D_N2Ob ', 'tag_NO2_HO2 ', &
418 : 'tag_NO2_NO3 ', 'tag_NO2_OH ', &
419 : 'usr_HNO3_OH ', 'usr_HO2NO2_M ', &
420 : 'usr_N2O5_M ', 'CL_CH2O ', &
421 : 'CL_CH4 ', 'CL_H2 ', &
422 : 'CL_H2O2 ', 'CL_HO2a ', &
423 310272 : 'CL_HO2b ', 'CL_O3 ' /)
424 1536 : rxt_tag_lst( 201: 400) = (/ 'CLO_CH3O2 ', 'CLO_CLOa ', &
425 : 'CLO_CLOb ', 'CLO_CLOc ', &
426 : 'CLO_HO2 ', 'CLO_NO ', &
427 : 'CLONO2_CL ', 'CLO_NO2_M ', &
428 : 'CLONO2_O ', 'CLONO2_OH ', &
429 : 'CLO_O ', 'CLO_OHa ', &
430 : 'CLO_OHb ', 'HCL_O ', &
431 : 'HCL_OH ', 'HOCL_CL ', &
432 : 'HOCL_O ', 'HOCL_OH ', &
433 : 'O1D_CCL4 ', 'O1D_CF2CLBR ', &
434 : 'O1D_CFC11 ', 'O1D_CFC113 ', &
435 : 'O1D_CFC114 ', 'O1D_CFC115 ', &
436 : 'O1D_CFC12 ', 'O1D_HCLa ', &
437 : 'O1D_HCLb ', 'tag_CLO_CLO_M ', &
438 : 'usr_CL2O2_M ', 'BR_CH2O ', &
439 : 'BR_HO2 ', 'BR_O3 ', &
440 : 'BRO_BRO ', 'BRO_CLOa ', &
441 : 'BRO_CLOb ', 'BRO_CLOc ', &
442 : 'BRO_HO2 ', 'BRO_NO ', &
443 : 'BRO_NO2_M ', 'BRONO2_O ', &
444 : 'BRO_O ', 'BRO_OH ', &
445 : 'HBR_O ', 'HBR_OH ', &
446 : 'HOBR_O ', 'O1D_CF3BR ', &
447 : 'O1D_CHBR3 ', 'O1D_H2402 ', &
448 : 'O1D_HBRa ', 'O1D_HBRb ', &
449 : 'F_CH4 ', 'F_H2 ', &
450 : 'F_H2O ', 'F_HNO3 ', &
451 : 'O1D_COF2 ', 'O1D_COFCL ', &
452 : 'CH2BR2_CL ', 'CH2BR2_OH ', &
453 : 'CH3BR_CL ', 'CH3BR_OH ', &
454 : 'CH3CCL3_OH ', 'CH3CL_CL ', &
455 : 'CH3CL_OH ', 'CHBR3_CL ', &
456 : 'CHBR3_OH ', 'HCFC141B_OH ', &
457 : 'HCFC142B_OH ', 'HCFC22_OH ', &
458 : 'O1D_CH2BR2 ', 'O1D_CH3BR ', &
459 : 'O1D_HCFC141B ', 'O1D_HCFC142B ', &
460 : 'O1D_HCFC22 ', 'CH2O_HO2 ', &
461 : 'CH2O_NO3 ', 'CH2O_O ', &
462 : 'CH2O_OH ', 'CH3O2_CH3O2a ', &
463 : 'CH3O2_CH3O2b ', 'CH3O2_HO2 ', &
464 : 'CH3O2_NO ', 'CH3OH_OH ', &
465 : 'CH3OOH_OH ', 'CH4_OH ', &
466 : 'HCN_OH ', 'HCOOH_OH ', &
467 : 'HOCH2OO_HO2 ', 'HOCH2OO_M ', &
468 : 'HOCH2OO_NO ', 'O1D_CH4a ', &
469 : 'O1D_CH4b ', 'O1D_CH4c ', &
470 : 'O1D_HCN ', 'usr_CO_OH ', &
471 : 'C2H2_CL_M ', 'C2H2_OH_M ', &
472 : 'C2H4_CL_M ', 'C2H4_O3 ', &
473 : 'C2H5O2_C2H5O2 ', 'C2H5O2_CH3O2 ', &
474 : 'C2H5O2_HO2 ', 'C2H5O2_NO ', &
475 : 'C2H5OH_OH ', 'C2H5OOH_OH ', &
476 : 'C2H6_CL ', 'C2H6_OH ', &
477 : 'CH3CHO_NO3 ', 'CH3CHO_OH ', &
478 : 'CH3CN_OH ', 'CH3CO3_CH3CO3 ', &
479 : 'CH3CO3_CH3O2 ', 'CH3CO3_HO2 ', &
480 : 'CH3CO3_NO ', 'CH3COOH_OH ', &
481 : 'CH3COOOH_OH ', 'EO2_HO2 ', &
482 : 'EO2_NO ', 'EO_M ', &
483 : 'EO_O2 ', 'GLYALD_OH ', &
484 : 'GLYOXAL_OH ', 'PAN_OH ', &
485 : 'tag_C2H4_OH ', 'tag_CH3CO3_NO2 ', &
486 : 'usr_PAN_M ', 'C3H6_NO3 ', &
487 : 'C3H6_O3 ', 'C3H7O2_CH3O2 ', &
488 : 'C3H7O2_HO2 ', 'C3H7O2_NO ', &
489 : 'C3H7OOH_OH ', 'C3H8_OH ', &
490 : 'CH3COCHO_NO3 ', 'CH3COCHO_OH ', &
491 : 'HYAC_OH ', 'NOA_OH ', &
492 : 'PO2_HO2 ', 'PO2_NO ', &
493 : 'POOH_OH ', 'RO2_CH3O2 ', &
494 : 'RO2_HO2 ', 'RO2_NO ', &
495 : 'ROOH_OH ', 'tag_C3H6_OH ', &
496 : 'usr_CH3COCH3_OH ', 'BIGENE_NO3 ', &
497 : 'BIGENE_OH ', 'ENEO2_NO ', &
498 : 'ENEO2_NOb ', 'HONITR_OH ', &
499 : 'MACRO2_CH3CO3 ', 'MACRO2_CH3O2 ', &
500 : 'MACRO2_HO2 ', 'MACRO2_NO3 ', &
501 : 'MACRO2_NOa ', 'MACRO2_NOb ', &
502 : 'MACR_O3 ', 'MACR_OH ', &
503 : 'MACROOH_OH ', 'MCO3_CH3CO3 ', &
504 : 'MCO3_CH3O2 ', 'MCO3_HO2 ', &
505 : 'MCO3_MCO3 ', 'MCO3_NO ', &
506 : 'MCO3_NO3 ', 'MEKO2_HO2 ', &
507 : 'MEKO2_NO ', 'MEK_OH ', &
508 : 'MEKOOH_OH ', 'MPAN_OH_M ', &
509 : 'MVK_O3 ', 'MVK_OH ', &
510 : 'usr_MCO3_NO2 ', 'usr_MPAN_M ', &
511 : 'ALKNIT_OH ', 'ALKO2_HO2 ', &
512 : 'ALKO2_NO ', 'ALKO2_NOb ', &
513 : 'ALKOOH_OH ', 'BIGALK_OH ', &
514 : 'HPALD_OH ', 'HYDRALD_OH ', &
515 : 'IEPOX_OH ', 'ISOPAO2_CH3CO3 ', &
516 : 'ISOPAO2_CH3O2 ', 'ISOPAO2_HO2 ', &
517 : 'ISOPAO2_NO ', 'ISOPAO2_NO3 ', &
518 : 'ISOPBO2_CH3CO3 ', 'ISOPBO2_CH3O2 ', &
519 : 'ISOPBO2_HO2 ', 'ISOPBO2_M ', &
520 : 'ISOPBO2_NO ', 'ISOPBO2_NO3 ', &
521 : 'ISOPNITA_OH ', 'ISOPNITB_OH ', &
522 : 'ISOP_NO3 ', 'ISOPNO3_CH3CO3 ', &
523 310272 : 'ISOPNO3_CH3O2 ', 'ISOPNO3_HO2 ' /)
524 1536 : rxt_tag_lst( 401: 562) = (/ 'ISOPNO3_NO ', 'ISOPNO3_NO3 ', &
525 : 'ISOPNOOH_OH ', 'ISOP_O3 ', &
526 : 'ISOP_OH ', 'ISOPOOH_OH ', &
527 : 'NC4CH2OH_OH ', 'NC4CHO_OH ', &
528 : 'XO2_CH3CO3 ', 'XO2_CH3O2 ', &
529 : 'XO2_HO2 ', 'XO2_NO ', &
530 : 'XO2_NO3 ', 'XOOH_OH ', &
531 : 'ACBZO2_HO2 ', 'ACBZO2_NO ', &
532 : 'BENZENE_OH ', 'BENZO2_HO2 ', &
533 : 'BENZO2_NO ', 'BENZOOH_OH ', &
534 : 'BZALD_OH ', 'BZOO_HO2 ', &
535 : 'BZOOH_OH ', 'BZOO_NO ', &
536 : 'C6H5O2_HO2 ', 'C6H5O2_NO ', &
537 : 'C6H5OOH_OH ', 'CRESOL_OH ', &
538 : 'DICARBO2_HO2 ', 'DICARBO2_NO ', &
539 : 'DICARBO2_NO2 ', 'MALO2_HO2 ', &
540 : 'MALO2_NO ', 'MALO2_NO2 ', &
541 : 'MDIALO2_HO2 ', 'MDIALO2_NO ', &
542 : 'MDIALO2_NO2 ', 'PHENO2_HO2 ', &
543 : 'PHENO2_NO ', 'PHENOL_OH ', &
544 : 'PHENO_NO2 ', 'PHENO_O3 ', &
545 : 'PHENOOH_OH ', 'tag_ACBZO2_NO2 ', &
546 : 'TOLO2_HO2 ', 'TOLO2_NO ', &
547 : 'TOLOOH_OH ', 'TOLUENE_OH ', &
548 : 'usr_PBZNIT_M ', 'XYLENES_OH ', &
549 : 'XYLENO2_HO2 ', 'XYLENO2_NO ', &
550 : 'XYLENOOH_OH ', 'XYLOLO2_HO2 ', &
551 : 'XYLOLO2_NO ', 'XYLOL_OH ', &
552 : 'XYLOLOOH_OH ', 'BCARY_NO3 ', &
553 : 'BCARY_O3 ', 'BCARY_OH ', &
554 : 'MTERP_NO3 ', 'MTERP_O3 ', &
555 : 'MTERP_OH ', 'NTERPO2_CH3O2 ', &
556 : 'NTERPO2_HO2 ', 'NTERPO2_NO ', &
557 : 'NTERPO2_NO3 ', 'NTERPOOH_OH ', &
558 : 'TERP2O2_CH3O2 ', 'TERP2O2_HO2 ', &
559 : 'TERP2O2_NO ', 'TERP2OOH_OH ', &
560 : 'TERPNIT_OH ', 'TERPO2_CH3O2 ', &
561 : 'TERPO2_HO2 ', 'TERPO2_NO ', &
562 : 'TERPOOH_OH ', 'TERPROD1_NO3 ', &
563 : 'TERPROD1_OH ', 'TERPROD2_OH ', &
564 : 'DMS_NO3 ', 'DMS_OHa ', &
565 : 'OCS_O ', 'OCS_OH ', &
566 : 'S_O2 ', 'SO2_OH_M ', &
567 : 'S_O3 ', 'SO_BRO ', &
568 : 'SO_CLO ', 'S_OH ', &
569 : 'SO_NO2 ', 'SO_O2 ', &
570 : 'SO_O3 ', 'SO_OCLO ', &
571 : 'SO_OH ', 'usr_DMS_OH ', &
572 : 'usr_SO3_H2O ', 'NH3_OH ', &
573 : 'usr_HO2_aer ', 'usr_HONITR_aer ', &
574 : 'usr_ISOPNITA_aer ', 'usr_ISOPNITB_aer ', &
575 : 'usr_N2O5_aer ', 'usr_NC4CH2OH_aer ', &
576 : 'usr_NC4CHO_aer ', 'usr_NH4_strat_tau ', &
577 : 'usr_NO2_aer ', 'usr_NO3_aer ', &
578 : 'usr_NTERPOOH_aer ', 'usr_ONITR_aer ', &
579 : 'usr_TERPNIT_aer ', 'BCARY_NO3_vbs ', &
580 : 'BCARYO2_HO2_vbs ', 'BCARYO2_NO_vbs ', &
581 : 'BCARY_O3_vbs ', 'BCARY_OH_vbs ', &
582 : 'BENZENE_OH_vbs ', 'BENZO2_HO2_vbs ', &
583 : 'BENZO2_NO_vbs ', 'ISOP_NO3_vbs ', &
584 : 'ISOPO2_HO2_vbs ', 'ISOPO2_NO_vbs ', &
585 : 'ISOP_O3_vbs ', 'ISOP_OH_vbs ', &
586 : 'IVOCbbO2_HO2_vbs ', 'IVOCbbO2_NO_vbs ', &
587 : 'IVOCbb_OH_vbs ', 'IVOCffO2_HO2_vbs ', &
588 : 'IVOCffO2_NO_vbs ', 'IVOCff_OH_vbs ', &
589 : 'MTERP_NO3_vbs ', 'MTERPO2_HO2_vbs ', &
590 : 'MTERPO2_NO_vbs ', 'MTERP_O3_vbs ', &
591 : 'MTERP_OH_vbs ', 'SVOCbb_OH ', &
592 : 'SVOCff_OH ', 'TOLUENE_OH_vbs ', &
593 : 'TOLUO2_HO2_vbs ', 'TOLUO2_NO_vbs ', &
594 : 'usr_GLYOXAL_aer ', 'XYLENES_OH_vbs ', &
595 : 'XYLEO2_HO2_vbs ', 'XYLEO2_NO_vbs ', &
596 : 'het1 ', 'het10 ', &
597 : 'het11 ', 'het12 ', &
598 : 'het13 ', 'het14 ', &
599 : 'het15 ', 'het16 ', &
600 : 'het17 ', 'het2 ', &
601 : 'het3 ', 'het4 ', &
602 : 'het5 ', 'het6 ', &
603 : 'het7 ', 'het8 ', &
604 251904 : 'het9 ', 'E90_tau ' /)
605 0 : rxt_tag_map(:rxt_tag_cnt) = (/ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, &
606 : 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, &
607 : 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, &
608 : 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, &
609 : 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, &
610 : 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, &
611 : 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, &
612 : 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, &
613 : 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, &
614 : 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, &
615 : 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
616 : 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
617 : 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
618 : 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, &
619 : 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, &
620 : 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, &
621 : 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, &
622 : 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, &
623 : 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, &
624 : 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, &
625 : 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, &
626 : 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, &
627 : 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, &
628 : 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, &
629 : 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, &
630 : 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, &
631 : 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, &
632 : 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, &
633 : 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, &
634 : 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, &
635 : 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, &
636 : 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, &
637 : 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, &
638 : 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, &
639 : 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, &
640 : 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, &
641 : 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, &
642 : 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, &
643 : 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, &
644 : 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, &
645 : 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, &
646 : 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, &
647 : 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, &
648 : 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, &
649 : 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, &
650 : 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, &
651 : 461, 462, 463, 464, 465, 466, 467, 468, 469, 470, &
652 : 471, 472, 473, 474, 475, 476, 477, 478, 479, 480, &
653 : 481, 482, 483, 484, 485, 486, 487, 488, 489, 490, &
654 : 491, 492, 493, 494, 495, 496, 497, 498, 499, 500, &
655 : 501, 502, 503, 504, 505, 506, 507, 508, 509, 510, &
656 : 511, 512, 513, 514, 515, 516, 517, 518, 519, 520, &
657 : 521, 522, 523, 524, 525, 526, 527, 528, 529, 530, &
658 : 531, 532, 533, 534, 535, 536, 537, 538, 539, 540, &
659 : 541, 542, 543, 544, 545, 546, 547, 548, 549, 550, &
660 : 551, 552, 553, 554, 555, 556, 557, 558, 559, 560, &
661 866304 : 561, 562 /)
662 1536 : if( allocated( pht_alias_lst ) ) then
663 0 : deallocate( pht_alias_lst )
664 : end if
665 1536 : allocate( pht_alias_lst(phtcnt,2),stat=ios )
666 1536 : if( ios /= 0 ) then
667 0 : write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_lst; error = ',ios
668 0 : call endrun
669 : end if
670 1536 : if( allocated( pht_alias_mult ) ) then
671 0 : deallocate( pht_alias_mult )
672 : end if
673 1536 : allocate( pht_alias_mult(phtcnt,2),stat=ios )
674 1536 : if( ios /= 0 ) then
675 0 : write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_mult; error = ',ios
676 0 : call endrun
677 : end if
678 0 : pht_alias_lst(:,1) = (/ ' ', ' ', ' ', ' ', &
679 : 'userdefined ', 'userdefined ', ' ', ' ', &
680 : ' ', ' ', ' ', ' ', &
681 : ' ', ' ', 'userdefined ', ' ', &
682 : ' ', ' ', ' ', ' ', &
683 : ' ', ' ', ' ', ' ', &
684 : ' ', ' ', ' ', ' ', &
685 : ' ', ' ', ' ', ' ', &
686 : ' ', ' ', ' ', ' ', &
687 : ' ', ' ', ' ', ' ', &
688 : ' ', ' ', ' ', ' ', &
689 : ' ', ' ', ' ', ' ', &
690 : ' ', ' ', ' ', ' ', &
691 : ' ', ' ', ' ', ' ', &
692 : ' ', ' ', ' ', ' ', &
693 : ' ', ' ', ' ', ' ', &
694 : ' ', ' ', ' ', ' ', &
695 : ' ', ' ', ' ', ' ', &
696 : ' ', ' ', ' ', ' ', &
697 : ' ', ' ', ' ', ' ', &
698 : ' ', ' ', ' ', ' ', &
699 : ' ', ' ', ' ', ' ', &
700 : ' ', ' ', ' ', ' ', &
701 : ' ', ' ', ' ', ' ', &
702 : ' ', ' ', ' ', ' ', &
703 : ' ', ' ', ' ', ' ', &
704 : ' ', ' ', ' ', ' ', &
705 : ' ', ' ', ' ', ' ', &
706 : ' ', ' ', ' ', ' ', &
707 : ' ', ' ', ' ', ' ', &
708 : ' ', ' ', ' ', ' ', &
709 : ' ', ' ', ' ', ' ', &
710 : ' ', ' ', ' ', ' ', &
711 : ' ', ' ', ' ', ' ', &
712 : ' ', ' ', ' ', ' ', &
713 221184 : ' ', ' ', ' ' /)
714 0 : pht_alias_lst(:,2) = (/ ' ', ' ', ' ', ' ', &
715 : ' ', ' ', ' ', ' ', &
716 : ' ', ' ', ' ', ' ', &
717 : ' ', ' ', ' ', ' ', &
718 : ' ', ' ', 'jch3ooh ', 'jch3ooh ', &
719 : 'jch3ooh ', 'jno2 ', 'jno2 ', 'jno2 ', &
720 : 'jno2 ', 'jno2 ', 'jno2 ', 'jch3ooh ', &
721 : 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', ' ', &
722 : ' ', ' ', ' ', ' ', &
723 : 'jh2o2 ', ' ', ' ', ' ', &
724 : ' ', 'jch3ooh ', ' ', 'jmgly ', &
725 : 'jch2o_a ', 'jno2 ', ' ', 'jch3ooh ', &
726 : 'jch3ooh ', ' ', ' ', 'jacet ', &
727 : 'jch3ooh ', 'jpan ', ' ', 'jch2o_a ', &
728 : 'jch2o_a ', 'jch3ooh ', 'jch3cho ', ' ', &
729 : 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', 'jno2 ', &
730 : 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', 'jch3cho ', &
731 : 'jch3cho ', 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', &
732 : 'jch3ooh ', ' ', ' ', ' ', &
733 : ' ', ' ', ' ', ' ', &
734 : ' ', ' ', ' ', ' ', &
735 : ' ', ' ', ' ', ' ', &
736 : ' ', ' ', ' ', ' ', &
737 : ' ', ' ', ' ', ' ', &
738 : ' ', ' ', ' ', ' ', &
739 : ' ', ' ', ' ', ' ', &
740 : ' ', ' ', ' ', ' ', &
741 : ' ', ' ', ' ', ' ', &
742 : ' ', 'jno2 ', 'jno2 ', 'jno2 ', &
743 : 'jno2 ', 'jno2 ', 'jno2 ', 'jno2 ', &
744 : 'jno2 ', 'jno2 ', 'jno2 ', 'jno2 ', &
745 : 'jno2 ', 'jno2 ', 'jno2 ', 'jno2 ', &
746 : 'jno2 ', 'jno2 ', 'jno2 ', 'jno2 ', &
747 : 'jno2 ', 'jno2 ', 'jno2 ', 'jno2 ', &
748 : 'jno2 ', 'jno2 ', 'jno2 ', 'jno2 ', &
749 221184 : 'jno2 ', 'jno2 ', 'jno2 ' /)
750 0 : pht_alias_mult(:,1) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
751 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
752 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
753 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
754 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
755 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
756 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
757 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
758 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
759 : 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 221184 : 1._r8, 1._r8, 1._r8 /)
779 0 : pht_alias_mult(:,2) = (/ 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, .10_r8, 0.2_r8, .14_r8, .20_r8, &
784 : .20_r8, .006_r8, 1._r8, 1._r8, 1._r8, &
785 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
786 : 1._r8, 0.28_r8, 1._r8, 1._r8, 1._r8, &
787 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
788 : .006_r8, 1._r8, 1._r8, 1._r8, 1._r8, &
789 : 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, .10_r8, 1._r8, &
792 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
793 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
794 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
795 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
796 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
797 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
798 : 1._r8, 1._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, .0004_r8, .0004_r8, &
802 : .0004_r8, .0004_r8, .0004_r8, .0004_r8, .0004_r8, &
803 : .0004_r8, .0004_r8, .0004_r8, .0004_r8, .0004_r8, &
804 : .0004_r8, .0004_r8, .0004_r8, .0004_r8, .0004_r8, &
805 : .0004_r8, .0004_r8, .0004_r8, .0004_r8, .0004_r8, &
806 : .0004_r8, .0004_r8, .0004_r8, .0004_r8, .0004_r8, &
807 221184 : .0004_r8, .0004_r8, .0004_r8 /)
808 1536 : allocate( cph_enthalpy(enthalpy_cnt),stat=ios )
809 1536 : if( ios /= 0 ) then
810 0 : write(iulog,*) 'set_sim_dat: failed to allocate cph_enthalpy; error = ',ios
811 0 : call endrun
812 : end if
813 1536 : allocate( cph_rid(enthalpy_cnt),stat=ios )
814 1536 : if( ios /= 0 ) then
815 0 : write(iulog,*) 'set_sim_dat: failed to allocate cph_rid; error = ',ios
816 0 : call endrun
817 : end if
818 : cph_rid(:) = (/ 146, 149, 150, 151, 154, &
819 : 157, 158, 159, 160, 163, &
820 : 164, 165, 168, 170, 174, &
821 29184 : 175, 183, 184 /)
822 : cph_enthalpy(:) = (/ 189.810000_r8, 392.190000_r8, 493.580000_r8, 101.390000_r8, 232.590000_r8, &
823 : 203.400000_r8, 226.580000_r8, 120.100000_r8, 194.710000_r8, 293.620000_r8, &
824 : 67.670000_r8, 165.300000_r8, 165.510000_r8, 313.750000_r8, 133.750000_r8, &
825 29184 : 193.020000_r8, 34.470000_r8, 199.170000_r8 /)
826 1536 : allocate( num_rnts(rxntot-phtcnt),stat=ios )
827 1536 : if( ios /= 0 ) then
828 0 : write(iulog,*) 'set_sim_dat: failed to allocate num_rnts; error = ',ios
829 0 : call endrun
830 : end if
831 : num_rnts(:) = (/ 2, 2, 2, 2, 2, 2, 3, 3, 2, 2, &
832 : 2, 2, 2, 3, 2, 2, 2, 2, 2, 2, &
833 : 2, 2, 2, 3, 2, 2, 2, 2, 2, 2, &
834 : 2, 2, 2, 3, 2, 2, 2, 2, 2, 2, &
835 : 2, 3, 2, 2, 3, 3, 3, 2, 2, 2, &
836 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
837 : 2, 2, 2, 2, 3, 2, 2, 2, 2, 2, &
838 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
839 : 2, 2, 2, 2, 3, 2, 2, 2, 2, 2, &
840 : 2, 2, 2, 2, 2, 3, 2, 2, 2, 2, &
841 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
842 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
843 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
844 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
845 : 2, 3, 2, 2, 1, 2, 2, 2, 2, 2, &
846 : 2, 3, 3, 3, 2, 2, 2, 2, 2, 2, &
847 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
848 : 2, 2, 2, 2, 1, 2, 2, 2, 2, 3, &
849 : 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
850 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
851 : 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
852 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
853 : 2, 2, 2, 2, 2, 2, 3, 2, 2, 3, &
854 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
855 : 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, &
856 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
857 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
858 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
859 : 2, 2, 2, 2, 2, 2, 2, 3, 2, 2, &
860 : 3, 2, 2, 3, 2, 2, 2, 2, 2, 2, &
861 : 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
862 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 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, 3, 2, 2, 2, 2, 2, 2, 2, &
866 : 2, 2, 2, 2, 2, 1, 1, 1, 1, 1, &
867 : 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, &
868 : 2, 2, 2, 2, 2, 2, 2, 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, 1, 2, 1, 1, 1, 1, 2, 2, 2, &
872 645120 : 1, 1, 2, 2, 2, 1, 1, 2, 1 /)
873 :
874 1536 : end subroutine set_sim_dat
875 :
876 : end module mo_sim_dat
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