Line data Source code
1 :
2 : module mo_sim_dat
3 :
4 : private
5 : public :: set_sim_dat
6 :
7 : contains
8 :
9 1536 : subroutine set_sim_dat
10 :
11 : use chem_mods, only : clscnt, cls_rxt_cnt, clsmap, permute, adv_mass, fix_mass, crb_mass
12 : use chem_mods, only : diag_map
13 : use chem_mods, only : phtcnt, rxt_tag_cnt, rxt_tag_lst, rxt_tag_map
14 : use chem_mods, only : pht_alias_lst, pht_alias_mult
15 : use chem_mods, only : extfrc_lst, inv_lst, slvd_lst
16 : use chem_mods, only : enthalpy_cnt, cph_enthalpy, cph_rid, num_rnts, rxntot
17 : use cam_abortutils,only : endrun
18 : use mo_tracname, only : solsym
19 : use chem_mods, only : frc_from_dataset
20 : use chem_mods, only : is_scalar, is_vector
21 : use shr_kind_mod, only : r8 => shr_kind_r8
22 : use cam_logfile, only : iulog
23 :
24 : implicit none
25 :
26 : !--------------------------------------------------------------
27 : ! ... local variables
28 : !--------------------------------------------------------------
29 : integer :: ios
30 :
31 1536 : is_scalar = .false.
32 1536 : is_vector = .true.
33 :
34 1536 : clscnt(:) = (/ 31, 0, 0, 171, 0 /)
35 :
36 7680 : cls_rxt_cnt(:,1) = (/ 37, 61, 0, 31 /)
37 7680 : cls_rxt_cnt(:,4) = (/ 23, 164, 340, 171 /)
38 :
39 : solsym(:202) = (/ 'ALKNIT ','ALKOOH ','AOA_NH ','BCARY ','BENZENE ', &
40 : 'BENZOOH ','BEPOMUC ','BIGALD ','BIGALD1 ','BIGALD2 ', &
41 : 'BIGALD3 ','BIGALD4 ','BIGALK ','BIGENE ','BR ', &
42 : 'BRCL ','BRO ','BRONO2 ','BRY ','BZALD ', &
43 : 'BZOOH ','C2H2 ','C2H4 ','C2H5OH ','C2H5OOH ', &
44 : 'C2H6 ','C3H6 ','C3H7OOH ','C3H8 ','C6H5OOH ', &
45 : 'CCL4 ','CF2CLBR ','CF3BR ','CFC11 ','CFC113 ', &
46 : 'CFC114 ','CFC115 ','CFC12 ','CH2BR2 ','CH2O ', &
47 : 'CH3BR ','CH3CCL3 ','CH3CHO ','CH3CL ','CH3CN ', &
48 : 'CH3COCH3 ','CH3COCHO ','CH3COOH ','CH3COOOH ','CH3OH ', &
49 : 'CH3OOH ','CH4 ','CHBR3 ','CL ','CL2 ', &
50 : 'CL2O2 ','CLO ','CLONO2 ','CLY ','CO ', &
51 : 'CO2 ','COF2 ','COFCL ','CRESOL ','DMS ', &
52 : 'E90 ','EOOH ','F ','GLYALD ','GLYOXAL ', &
53 : 'H ','H2 ','H2402 ','H2O2 ','H2SO4 ', &
54 : 'HBR ','HCFC141B ','HCFC142B ','HCFC22 ','HCL ', &
55 : 'HCN ','HCOOH ','HF ','HNO3 ','HO2NO2 ', &
56 : 'HOBR ','HOCL ','HONITR ','HPALD ','HYAC ', &
57 : 'HYDRALD ','IEPOX ','ISOP ','ISOPNITA ','ISOPNITB ', &
58 : 'ISOPNO3 ','ISOPNOOH ','ISOPOOH ','IVOC ','MACR ', &
59 : 'MACROOH ','MEK ','MEKOOH ','MPAN ','MTERP ', &
60 : 'MVK ','N ','N2O ','N2O5 ','NC4CH2OH ', &
61 : 'NC4CHO ','NH3 ','NH4 ','NH_5 ','NH_50 ', &
62 : 'NO ','NO2 ','NO3 ','NOA ','NTERPOOH ', &
63 : 'O ','O3 ','O3S ','OCLO ','OCS ', &
64 : 'ONITR ','PAN ','PBZNIT ','PHENO ','PHENOL ', &
65 : 'PHENOOH ','POOH ','ROOH ','S ','SF6 ', &
66 : 'SO ','SO2 ','SO3 ','SOAG0 ','SOAG1 ', &
67 : 'SOAG2 ','SOAG3 ','SOAG4 ','ST80_25 ','SVOC ', &
68 : 'TEPOMUC ','TERP2OOH ','TERPNIT ','TERPOOH ','TERPROD1 ', &
69 : 'TERPROD2 ','TOLOOH ','TOLUENE ','XOOH ','XYLENES ', &
70 : 'XYLENOOH ','XYLOL ','XYLOLOOH ','NHDEP ','NDEP ', &
71 : 'ACBZO2 ','ALKO2 ','BCARYO2VBS ','BENZO2 ','BENZO2VBS ', &
72 : 'BZOO ','C2H5O2 ','C3H7O2 ','C6H5O2 ','CH3CO3 ', &
73 : 'CH3O2 ','DICARBO2 ','ENEO2 ','EO ','EO2 ', &
74 : 'HO2 ','HOCH2OO ','ISOPAO2 ','ISOPBO2 ','ISOPO2VBS ', &
75 : 'IVOCO2VBS ','MACRO2 ','MALO2 ','MCO3 ','MDIALO2 ', &
76 : 'MEKO2 ','MTERPO2VBS ','NTERPO2 ','O1D ','OH ', &
77 : 'PHENO2 ','PO2 ','RO2 ','TERP2O2 ','TERPO2 ', &
78 : 'TOLO2 ','TOLUO2VBS ','XO2 ','XYLENO2 ','XYLEO2VBS ', &
79 311808 : 'XYLOLO2 ','H2O ' /)
80 :
81 : adv_mass(:202) = (/ 133.141340_r8, 104.142600_r8, 28.010400_r8, 204.342600_r8, 78.110400_r8, &
82 : 160.122200_r8, 126.108600_r8, 98.098200_r8, 84.072400_r8, 98.098200_r8, &
83 : 98.098200_r8, 112.124000_r8, 72.143800_r8, 56.103200_r8, 79.904000_r8, &
84 : 115.356700_r8, 95.903400_r8, 141.908940_r8, 99.716850_r8, 106.120800_r8, &
85 : 124.135000_r8, 26.036800_r8, 28.051600_r8, 46.065800_r8, 62.065200_r8, &
86 : 30.066400_r8, 42.077400_r8, 76.091000_r8, 44.092200_r8, 110.109200_r8, &
87 : 153.821800_r8, 165.364506_r8, 148.910210_r8, 137.367503_r8, 187.375310_r8, &
88 : 170.921013_r8, 154.466716_r8, 120.913206_r8, 173.833800_r8, 30.025200_r8, &
89 : 94.937200_r8, 133.402300_r8, 44.051000_r8, 50.485900_r8, 41.050940_r8, &
90 : 58.076800_r8, 72.061400_r8, 60.050400_r8, 76.049800_r8, 32.040000_r8, &
91 : 48.039400_r8, 16.040600_r8, 252.730400_r8, 35.452700_r8, 70.905400_r8, &
92 : 102.904200_r8, 51.452100_r8, 97.457640_r8, 100.916850_r8, 28.010400_r8, &
93 : 44.009800_r8, 66.007206_r8, 82.461503_r8, 108.135600_r8, 62.132400_r8, &
94 : 28.010400_r8, 78.064600_r8, 18.998403_r8, 60.050400_r8, 58.035600_r8, &
95 : 1.007400_r8, 2.014800_r8, 259.823613_r8, 34.013600_r8, 98.078400_r8, &
96 : 80.911400_r8, 116.948003_r8, 100.493706_r8, 86.467906_r8, 36.460100_r8, &
97 : 27.025140_r8, 46.024600_r8, 20.005803_r8, 63.012340_r8, 79.011740_r8, &
98 : 96.910800_r8, 52.459500_r8, 135.114940_r8, 116.112400_r8, 74.076200_r8, &
99 : 100.113000_r8, 118.127200_r8, 68.114200_r8, 147.125940_r8, 147.125940_r8, &
100 : 162.117940_r8, 163.125340_r8, 118.127200_r8, 184.350200_r8, 70.087800_r8, &
101 : 120.100800_r8, 72.102600_r8, 104.101400_r8, 147.084740_r8, 136.228400_r8, &
102 : 70.087800_r8, 14.006740_r8, 44.012880_r8, 108.010480_r8, 147.125940_r8, &
103 : 145.111140_r8, 17.028940_r8, 18.036340_r8, 28.010400_r8, 28.010400_r8, &
104 : 30.006140_r8, 46.005540_r8, 62.004940_r8, 119.074340_r8, 231.239540_r8, &
105 : 15.999400_r8, 47.998200_r8, 47.998200_r8, 67.451500_r8, 60.076400_r8, &
106 : 133.100140_r8, 121.047940_r8, 183.117740_r8, 93.102400_r8, 94.109800_r8, &
107 : 176.121600_r8, 92.090400_r8, 90.075600_r8, 32.066000_r8, 146.056419_r8, &
108 : 48.065400_r8, 64.064800_r8, 80.064200_r8, 250.445000_r8, 250.445000_r8, &
109 : 250.445000_r8, 250.445000_r8, 250.445000_r8, 28.010400_r8, 310.582400_r8, &
110 : 140.134400_r8, 200.226000_r8, 215.240140_r8, 186.241400_r8, 168.227200_r8, &
111 : 154.201400_r8, 174.148000_r8, 92.136200_r8, 150.126000_r8, 106.162000_r8, &
112 : 188.173800_r8, 122.161400_r8, 204.173200_r8, 14.006740_r8, 14.006740_r8, &
113 : 137.112200_r8, 103.135200_r8, 253.348200_r8, 159.114800_r8, 159.114800_r8, &
114 : 123.127600_r8, 61.057800_r8, 75.083600_r8, 109.101800_r8, 75.042400_r8, &
115 : 47.032000_r8, 129.089600_r8, 105.108800_r8, 61.057800_r8, 77.057200_r8, &
116 : 33.006200_r8, 63.031400_r8, 117.119800_r8, 117.119800_r8, 117.119800_r8, &
117 : 233.355800_r8, 119.093400_r8, 115.063800_r8, 101.079200_r8, 117.078600_r8, &
118 : 103.094000_r8, 185.234000_r8, 230.232140_r8, 15.999400_r8, 17.006800_r8, &
119 : 175.114200_r8, 91.083000_r8, 89.068200_r8, 199.218600_r8, 185.234000_r8, &
120 : 173.140600_r8, 173.140600_r8, 149.118600_r8, 187.166400_r8, 187.166400_r8, &
121 1536 : 203.165800_r8, 18.014200_r8 /)
122 :
123 : crb_mass(:202) = (/ 60.055000_r8, 60.055000_r8, 12.011000_r8, 180.165000_r8, 72.066000_r8, &
124 : 72.066000_r8, 72.066000_r8, 60.055000_r8, 48.044000_r8, 60.055000_r8, &
125 : 60.055000_r8, 72.066000_r8, 60.055000_r8, 48.044000_r8, 0.000000_r8, &
126 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 84.077000_r8, &
127 : 84.077000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, &
128 : 24.022000_r8, 36.033000_r8, 36.033000_r8, 36.033000_r8, 72.066000_r8, &
129 : 12.011000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, 24.022000_r8, &
130 : 24.022000_r8, 24.022000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, &
131 : 12.011000_r8, 24.022000_r8, 24.022000_r8, 12.011000_r8, 24.022000_r8, &
132 : 36.033000_r8, 36.033000_r8, 24.022000_r8, 24.022000_r8, 12.011000_r8, &
133 : 12.011000_r8, 12.011000_r8, 12.011000_r8, 0.000000_r8, 0.000000_r8, &
134 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 12.011000_r8, 12.011000_r8, &
135 : 12.011000_r8, 12.011000_r8, 12.011000_r8, 84.077000_r8, 24.022000_r8, &
136 : 12.011000_r8, 24.022000_r8, 0.000000_r8, 24.022000_r8, 24.022000_r8, &
137 : 0.000000_r8, 0.000000_r8, 24.022000_r8, 0.000000_r8, 0.000000_r8, &
138 : 0.000000_r8, 24.022000_r8, 24.022000_r8, 12.011000_r8, 0.000000_r8, &
139 : 12.011000_r8, 12.011000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, &
140 : 0.000000_r8, 0.000000_r8, 48.044000_r8, 60.055000_r8, 36.033000_r8, &
141 : 60.055000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, &
142 : 60.055000_r8, 60.055000_r8, 60.055000_r8, 156.143000_r8, 48.044000_r8, &
143 : 48.044000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, 120.110000_r8, &
144 : 48.044000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 60.055000_r8, &
145 : 60.055000_r8, 0.000000_r8, 0.000000_r8, 12.011000_r8, 12.011000_r8, &
146 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 36.033000_r8, 120.110000_r8, &
147 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 12.011000_r8, &
148 : 48.044000_r8, 24.022000_r8, 84.077000_r8, 72.066000_r8, 72.066000_r8, &
149 : 72.066000_r8, 36.033000_r8, 36.033000_r8, 0.000000_r8, 0.000000_r8, &
150 : 0.000000_r8, 0.000000_r8, 0.000000_r8, 180.165000_r8, 180.165000_r8, &
151 : 180.165000_r8, 180.165000_r8, 180.165000_r8, 12.011000_r8, 264.242000_r8, &
152 : 84.077000_r8, 120.110000_r8, 120.110000_r8, 120.110000_r8, 120.110000_r8, &
153 : 108.099000_r8, 84.077000_r8, 84.077000_r8, 60.055000_r8, 96.088000_r8, &
154 : 96.088000_r8, 96.088000_r8, 96.088000_r8, 0.000000_r8, 0.000000_r8, &
155 : 84.077000_r8, 60.055000_r8, 180.165000_r8, 72.066000_r8, 72.066000_r8, &
156 : 84.077000_r8, 24.022000_r8, 36.033000_r8, 72.066000_r8, 24.022000_r8, &
157 : 12.011000_r8, 60.055000_r8, 48.044000_r8, 24.022000_r8, 24.022000_r8, &
158 : 0.000000_r8, 12.011000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, &
159 : 156.143000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, &
160 : 48.044000_r8, 120.110000_r8, 120.110000_r8, 0.000000_r8, 0.000000_r8, &
161 : 72.066000_r8, 36.033000_r8, 36.033000_r8, 120.110000_r8, 120.110000_r8, &
162 : 84.077000_r8, 84.077000_r8, 60.055000_r8, 96.088000_r8, 96.088000_r8, &
163 1536 : 96.088000_r8, 0.000000_r8 /)
164 :
165 1536 : fix_mass(: 3) = (/ 0.00000000_r8, 31.9988000_r8, 28.0134800_r8 /)
166 :
167 : clsmap(: 31,1) = (/ 3, 19, 31, 32, 33, 34, 35, 36, 37, 38, &
168 : 39, 41, 42, 44, 52, 53, 59, 61, 66, 73, &
169 : 77, 78, 79, 108, 114, 115, 123, 135, 144, 159, &
170 49152 : 160 /)
171 : clsmap(:171,4) = (/ 1, 2, 4, 5, 6, 7, 8, 9, 10, 11, &
172 : 12, 13, 14, 15, 16, 17, 18, 20, 21, 22, &
173 : 23, 24, 25, 26, 27, 28, 29, 30, 40, 43, &
174 : 45, 46, 47, 48, 49, 50, 51, 54, 55, 56, &
175 : 57, 58, 60, 62, 63, 64, 65, 67, 68, 69, &
176 : 70, 71, 72, 74, 75, 76, 80, 81, 82, 83, &
177 : 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, &
178 : 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, &
179 : 104, 105, 106, 107, 109, 110, 111, 112, 113, 116, &
180 : 117, 118, 119, 120, 121, 122, 124, 125, 126, 127, &
181 : 128, 129, 130, 131, 132, 133, 134, 136, 137, 138, &
182 : 139, 140, 141, 142, 143, 145, 146, 147, 148, 149, &
183 : 150, 151, 152, 153, 154, 155, 156, 157, 158, 161, &
184 : 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, &
185 : 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, &
186 : 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, &
187 : 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, &
188 264192 : 202 /)
189 :
190 : permute(:171,4) = (/ 101, 100, 124, 26, 70, 27, 71, 76, 51, 97, &
191 : 59, 39, 61, 154, 42, 160, 86, 40, 58, 50, &
192 : 90, 43, 53, 49, 129, 69, 19, 44, 161, 134, &
193 : 16, 127, 146, 88, 84, 113, 67, 169, 25, 17, &
194 : 164, 128, 135, 20, 29, 32, 47, 21, 111, 131, &
195 : 122, 156, 143, 93, 22, 118, 168, 30, 115, 37, &
196 : 155, 62, 112, 116, 136, 38, 137, 52, 23, 119, &
197 : 94, 89, 144, 63, 107, 12, 145, 54, 83, 55, &
198 : 92, 125, 149, 64, 48, 65, 132, 18, 1, 165, &
199 : 167, 170, 121, 66, 162, 166, 56, 60, 41, 77, &
200 : 24, 78, 28, 57, 87, 68, 82, 147, 120, 45, &
201 : 2, 3, 4, 5, 6, 7, 33, 95, 98, 79, &
202 : 130, 133, 96, 31, 34, 35, 103, 36, 72, 85, &
203 : 126, 8, 80, 9, 73, 117, 114, 99, 153, 157, &
204 : 109, 91, 46, 104, 163, 74, 151, 148, 10, 11, &
205 : 150, 105, 152, 123, 102, 13, 140, 158, 159, 75, &
206 : 110, 141, 139, 138, 106, 14, 142, 108, 15, 81, &
207 264192 : 171 /)
208 :
209 : diag_map(:171) = (/ 1, 2, 3, 4, 5, 6, 12, 18, 24, 30, &
210 : 36, 38, 44, 50, 56, 57, 60, 63, 66, 70, &
211 : 73, 76, 79, 82, 85, 88, 94, 98, 103, 107, &
212 : 112, 119, 124, 128, 133, 141, 146, 149, 154, 157, &
213 : 160, 163, 166, 170, 175, 179, 183, 189, 195, 201, &
214 : 207, 210, 213, 218, 223, 228, 233, 239, 244, 249, &
215 : 257, 265, 271, 277, 283, 289, 295, 301, 307, 313, &
216 : 319, 325, 333, 339, 346, 352, 355, 362, 366, 375, &
217 : 383, 390, 396, 401, 408, 414, 422, 430, 434, 442, &
218 : 450, 458, 466, 473, 482, 493, 502, 506, 514, 521, &
219 : 532, 543, 554, 567, 574, 585, 596, 609, 620, 629, &
220 : 639, 648, 656, 661, 671, 676, 686, 694, 706, 723, &
221 : 729, 736, 741, 759, 786, 808, 818, 826, 840, 855, &
222 : 864, 873, 885, 894, 903, 912, 925, 938, 960, 979, &
223 : 995,1011,1024,1044,1060,1072,1083,1113,1135,1157, &
224 : 1183,1202,1233,1247,1260,1273,1320,1344,1499,1524, &
225 : 1548,1579,1686,1713,1804,1865,1907,1931,1966,2024, &
226 1536 : 2050 /)
227 :
228 : extfrc_lst(: 6) = (/ 'CO ','NO ','NO2 ','SO2 ','AOA_NH ', &
229 10752 : 'N ' /)
230 :
231 : frc_from_dataset(: 6) = (/ .true., .true., .true., .true., .false., &
232 1536 : .false. /)
233 :
234 6144 : inv_lst(: 3) = (/ 'M ', 'O2 ', 'N2 ' /)
235 :
236 : slvd_lst(: 41) = (/ 'ACBZO2 ', 'ALKO2 ', 'BCARYO2VBS ', 'BENZO2 ', 'BENZO2VBS ', &
237 : 'BZOO ', 'C2H5O2 ', 'C3H7O2 ', 'C6H5O2 ', 'CH3CO3 ', &
238 : 'CH3O2 ', 'DICARBO2 ', 'ENEO2 ', 'EO ', 'EO2 ', &
239 : 'HO2 ', 'HOCH2OO ', 'ISOPAO2 ', 'ISOPBO2 ', 'ISOPO2VBS ', &
240 : 'IVOCO2VBS ', 'MACRO2 ', 'MALO2 ', 'MCO3 ', 'MDIALO2 ', &
241 : 'MEKO2 ', 'MTERPO2VBS ', 'NTERPO2 ', 'O1D ', 'OH ', &
242 : 'PHENO2 ', 'PO2 ', 'RO2 ', 'TERP2O2 ', 'TERPO2 ', &
243 : 'TOLO2 ', 'TOLUO2VBS ', 'XO2 ', 'XYLENO2 ', 'XYLEO2VBS ', &
244 64512 : 'XYLOLO2 ' /)
245 :
246 1536 : if( allocated( rxt_tag_lst ) ) then
247 0 : deallocate( rxt_tag_lst )
248 : end if
249 1536 : allocate( rxt_tag_lst(rxt_tag_cnt),stat=ios )
250 1536 : if( ios /= 0 ) then
251 0 : write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_lst; error = ',ios
252 0 : call endrun
253 : end if
254 1536 : if( allocated( rxt_tag_map ) ) then
255 0 : deallocate( rxt_tag_map )
256 : end if
257 1536 : allocate( rxt_tag_map(rxt_tag_cnt),stat=ios )
258 1536 : if( ios /= 0 ) then
259 0 : write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_map; error = ',ios
260 0 : call endrun
261 : end if
262 1536 : rxt_tag_lst( 1: 200) = (/ 'jh2o_b ', 'jh2o_a ', &
263 : 'jh2o_c ', 'jh2o2 ', &
264 : 'jo2_a ', 'jo2_b ', &
265 : 'jo3_a ', 'jo3_b ', &
266 : 'jhno3 ', 'jho2no2_a ', &
267 : 'jho2no2_b ', 'jn2o ', &
268 : 'jn2o5_a ', 'jn2o5_b ', &
269 : 'jno ', 'jno2 ', &
270 : 'jno3_b ', 'jno3_a ', &
271 : 'jalknit ', 'jalkooh ', &
272 : 'jbenzooh ', 'jbepomuc ', &
273 : 'jbigald ', 'jbigald1 ', &
274 : 'jbigald2 ', 'jbigald3 ', &
275 : 'jbigald4 ', 'jbzooh ', &
276 : 'jc2h5ooh ', 'jc3h7ooh ', &
277 : 'jc6h5ooh ', 'jch2o_a ', &
278 : 'jch2o_b ', 'jch3cho ', &
279 : 'jacet ', 'jmgly ', &
280 : 'jch3co3h ', 'jch3ooh ', &
281 : 'jch4_a ', 'jch4_b ', &
282 : 'jco2 ', 'jeooh ', &
283 : 'jglyald ', 'jglyoxal ', &
284 : 'jhonitr ', 'jhpald ', &
285 : 'jhyac ', 'jisopnooh ', &
286 : 'jisopooh ', 'jmacr_a ', &
287 : 'jmacr_b ', 'jmek ', &
288 : 'jmekooh ', 'jmpan ', &
289 : 'jmvk ', 'jnc4cho ', &
290 : 'jnoa ', 'jnterpooh ', &
291 : 'jonitr ', 'jpan ', &
292 : 'jphenooh ', 'jpooh ', &
293 : 'jrooh ', 'jtepomuc ', &
294 : 'jterp2ooh ', 'jterpnit ', &
295 : 'jterpooh ', 'jterprd1 ', &
296 : 'jterprd2 ', 'jtolooh ', &
297 : 'jxooh ', 'jxylenooh ', &
298 : 'jxylolooh ', 'jbrcl ', &
299 : 'jbro ', 'jbrono2_b ', &
300 : 'jbrono2_a ', 'jccl4 ', &
301 : 'jcf2clbr ', 'jcf3br ', &
302 : 'jcfcl3 ', 'jcfc113 ', &
303 : 'jcfc114 ', 'jcfc115 ', &
304 : 'jcf2cl2 ', 'jch2br2 ', &
305 : 'jch3br ', 'jch3ccl3 ', &
306 : 'jch3cl ', 'jchbr3 ', &
307 : 'jcl2 ', 'jcl2o2 ', &
308 : 'jclo ', 'jclono2_a ', &
309 : 'jclono2_b ', 'jcof2 ', &
310 : 'jcofcl ', 'jh2402 ', &
311 : 'jhbr ', 'jhcfc141b ', &
312 : 'jhcfc142b ', 'jhcfc22 ', &
313 : 'jhcl ', 'jhf ', &
314 : 'jhobr ', 'jhocl ', &
315 : 'joclo ', 'jsf6 ', &
316 : 'jh2so4 ', 'jocs ', &
317 : 'jso ', 'jso2 ', &
318 : 'jso3 ', 'O1D_H2 ', &
319 : 'O1D_H2O ', 'O1D_N2 ', &
320 : 'O1D_O2ab ', 'O1D_O3 ', &
321 : 'O_O3 ', 'usr_O_O ', &
322 : 'usr_O_O2 ', 'H2_O ', &
323 : 'H2O2_O ', 'H_HO2 ', &
324 : 'H_HO2a ', 'H_HO2b ', &
325 : 'H_O2 ', 'HO2_O ', &
326 : 'HO2_O3 ', 'H_O3 ', &
327 : 'OH_H2 ', 'OH_H2O2 ', &
328 : 'OH_HO2 ', 'OH_O ', &
329 : 'OH_O3 ', 'OH_OH ', &
330 : 'OH_OH_M ', 'usr_HO2_HO2 ', &
331 : 'HO2NO2_OH ', 'N_NO ', &
332 : 'N_NO2a ', 'N_NO2b ', &
333 : 'N_NO2c ', 'N_O2 ', &
334 : 'NO2_O ', 'NO2_O3 ', &
335 : 'NO2_O_M ', 'NO3_HO2 ', &
336 : 'NO3_NO ', 'NO3_O ', &
337 : 'NO3_OH ', 'N_OH ', &
338 : 'NO_HO2 ', 'NO_O3 ', &
339 : 'NO_O_M ', 'O1D_N2Oa ', &
340 : 'O1D_N2Ob ', 'tag_NO2_HO2 ', &
341 : 'tag_NO2_NO3 ', 'tag_NO2_OH ', &
342 : 'usr_HNO3_OH ', 'usr_HO2NO2_M ', &
343 : 'usr_N2O5_M ', 'CL_CH2O ', &
344 : 'CL_CH4 ', 'CL_H2 ', &
345 : 'CL_H2O2 ', 'CL_HO2a ', &
346 : 'CL_HO2b ', 'CL_O3 ', &
347 : 'CLO_CH3O2 ', 'CLO_CLOa ', &
348 : 'CLO_CLOb ', 'CLO_CLOc ', &
349 : 'CLO_HO2 ', 'CLO_NO ', &
350 : 'CLONO2_CL ', 'CLO_NO2_M ', &
351 : 'CLONO2_O ', 'CLONO2_OH ', &
352 : 'CLO_O ', 'CLO_OHa ', &
353 : 'CLO_OHb ', 'HCL_O ', &
354 : 'HCL_OH ', 'HOCL_CL ', &
355 : 'HOCL_O ', 'HOCL_OH ', &
356 : 'O1D_CCL4 ', 'O1D_CF2CLBR ', &
357 : 'O1D_CFC11 ', 'O1D_CFC113 ', &
358 : 'O1D_CFC114 ', 'O1D_CFC115 ', &
359 : 'O1D_CFC12 ', 'O1D_HCLa ', &
360 : 'O1D_HCLb ', 'tag_CLO_CLO_M ', &
361 310272 : 'usr_CL2O2_M ', 'BR_CH2O ' /)
362 1536 : rxt_tag_lst( 201: 400) = (/ 'BR_HO2 ', 'BR_O3 ', &
363 : 'BRO_BRO ', 'BRO_CLOa ', &
364 : 'BRO_CLOb ', 'BRO_CLOc ', &
365 : 'BRO_HO2 ', 'BRO_NO ', &
366 : 'BRO_NO2_M ', 'BRONO2_O ', &
367 : 'BRO_O ', 'BRO_OH ', &
368 : 'HBR_O ', 'HBR_OH ', &
369 : 'HOBR_O ', 'O1D_CF3BR ', &
370 : 'O1D_CHBR3 ', 'O1D_H2402 ', &
371 : 'O1D_HBRa ', 'O1D_HBRb ', &
372 : 'F_CH4 ', 'F_H2 ', &
373 : 'F_H2O ', 'F_HNO3 ', &
374 : 'O1D_COF2 ', 'O1D_COFCL ', &
375 : 'CH2BR2_CL ', 'CH2BR2_OH ', &
376 : 'CH3BR_CL ', 'CH3BR_OH ', &
377 : 'CH3CCL3_OH ', 'CH3CL_CL ', &
378 : 'CH3CL_OH ', 'CHBR3_CL ', &
379 : 'CHBR3_OH ', 'HCFC141B_OH ', &
380 : 'HCFC142B_OH ', 'HCFC22_OH ', &
381 : 'O1D_CH2BR2 ', 'O1D_CH3BR ', &
382 : 'O1D_HCFC141B ', 'O1D_HCFC142B ', &
383 : 'O1D_HCFC22 ', 'CH2O_HO2 ', &
384 : 'CH2O_NO3 ', 'CH2O_O ', &
385 : 'CH2O_OH ', 'CH3O2_CH3O2a ', &
386 : 'CH3O2_CH3O2b ', 'CH3O2_HO2 ', &
387 : 'CH3O2_NO ', 'CH3OH_OH ', &
388 : 'CH3OOH_OH ', 'CH4_OH ', &
389 : 'CO_OH_M ', 'HCN_OH ', &
390 : 'HCOOH_OH ', 'HOCH2OO_HO2 ', &
391 : 'HOCH2OO_M ', 'HOCH2OO_NO ', &
392 : 'O1D_CH4a ', 'O1D_CH4b ', &
393 : 'O1D_CH4c ', 'O1D_HCN ', &
394 : 'usr_CO_OH_b ', 'C2H2_CL_M ', &
395 : 'C2H2_OH_M ', 'C2H4_CL_M ', &
396 : 'C2H4_O3 ', 'C2H5O2_C2H5O2 ', &
397 : 'C2H5O2_CH3O2 ', 'C2H5O2_HO2 ', &
398 : 'C2H5O2_NO ', 'C2H5OH_OH ', &
399 : 'C2H5OOH_OH ', 'C2H6_CL ', &
400 : 'C2H6_OH ', 'CH3CHO_NO3 ', &
401 : 'CH3CHO_OH ', 'CH3CN_OH ', &
402 : 'CH3CO3_CH3CO3 ', 'CH3CO3_CH3O2 ', &
403 : 'CH3CO3_HO2 ', 'CH3CO3_NO ', &
404 : 'CH3COOH_OH ', 'CH3COOOH_OH ', &
405 : 'EO2_HO2 ', 'EO2_NO ', &
406 : 'EO_M ', 'EO_O2 ', &
407 : 'GLYALD_OH ', 'GLYOXAL_OH ', &
408 : 'PAN_OH ', 'tag_C2H4_OH ', &
409 : 'tag_CH3CO3_NO2 ', 'usr_PAN_M ', &
410 : 'C3H6_NO3 ', 'C3H6_O3 ', &
411 : 'C3H7O2_CH3O2 ', 'C3H7O2_HO2 ', &
412 : 'C3H7O2_NO ', 'C3H7OOH_OH ', &
413 : 'C3H8_OH ', 'CH3COCHO_NO3 ', &
414 : 'CH3COCHO_OH ', 'HYAC_OH ', &
415 : 'NOA_OH ', 'PO2_HO2 ', &
416 : 'PO2_NO ', 'POOH_OH ', &
417 : 'RO2_CH3O2 ', 'RO2_HO2 ', &
418 : 'RO2_NO ', 'ROOH_OH ', &
419 : 'tag_C3H6_OH ', 'usr_CH3COCH3_OH ', &
420 : 'BIGENE_NO3 ', 'BIGENE_OH ', &
421 : 'ENEO2_NO ', 'ENEO2_NOb ', &
422 : 'HONITR_OH ', 'MACRO2_CH3CO3 ', &
423 : 'MACRO2_CH3O2 ', 'MACRO2_HO2 ', &
424 : 'MACRO2_NO3 ', 'MACRO2_NOa ', &
425 : 'MACRO2_NOb ', 'MACR_O3 ', &
426 : 'MACR_OH ', 'MACROOH_OH ', &
427 : 'MCO3_CH3CO3 ', 'MCO3_CH3O2 ', &
428 : 'MCO3_HO2 ', 'MCO3_MCO3 ', &
429 : 'MCO3_NO ', 'MCO3_NO3 ', &
430 : 'MEKO2_HO2 ', 'MEKO2_NO ', &
431 : 'MEK_OH ', 'MEKOOH_OH ', &
432 : 'MPAN_OH_M ', 'MVK_O3 ', &
433 : 'MVK_OH ', 'usr_MCO3_NO2 ', &
434 : 'usr_MPAN_M ', 'ALKNIT_OH ', &
435 : 'ALKO2_HO2 ', 'ALKO2_NO ', &
436 : 'ALKO2_NOb ', 'ALKOOH_OH ', &
437 : 'BIGALK_OH ', 'HPALD_OH ', &
438 : 'HYDRALD_OH ', 'IEPOX_OH ', &
439 : 'ISOPAO2_CH3CO3 ', 'ISOPAO2_CH3O2 ', &
440 : 'ISOPAO2_HO2 ', 'ISOPAO2_NO ', &
441 : 'ISOPAO2_NO3 ', 'ISOPBO2_CH3CO3 ', &
442 : 'ISOPBO2_CH3O2 ', 'ISOPBO2_HO2 ', &
443 : 'ISOPBO2_M ', 'ISOPBO2_NO ', &
444 : 'ISOPBO2_NO3 ', 'ISOPNITA_OH ', &
445 : 'ISOPNITB_OH ', 'ISOP_NO3 ', &
446 : 'ISOPNO3_CH3CO3 ', 'ISOPNO3_CH3O2 ', &
447 : 'ISOPNO3_HO2 ', 'ISOPNO3_NO ', &
448 : 'ISOPNO3_NO3 ', 'ISOPNOOH_OH ', &
449 : 'ISOP_O3 ', 'ISOP_OH ', &
450 : 'ISOPOOH_OH ', 'NC4CH2OH_OH ', &
451 : 'NC4CHO_OH ', 'XO2_CH3CO3 ', &
452 : 'XO2_CH3O2 ', 'XO2_HO2 ', &
453 : 'XO2_NO ', 'XO2_NO3 ', &
454 : 'XOOH_OH ', 'ACBZO2_HO2 ', &
455 : 'ACBZO2_NO ', 'BENZENE_OH ', &
456 : 'BENZO2_HO2 ', 'BENZO2_NO ', &
457 : 'BENZOOH_OH ', 'BZALD_OH ', &
458 : 'BZOO_HO2 ', 'BZOOH_OH ', &
459 : 'BZOO_NO ', 'C6H5O2_HO2 ', &
460 : 'C6H5O2_NO ', 'C6H5OOH_OH ', &
461 310272 : 'CRESOL_OH ', 'DICARBO2_HO2 ' /)
462 1536 : rxt_tag_lst( 401: 532) = (/ 'DICARBO2_NO ', 'DICARBO2_NO2 ', &
463 : 'MALO2_HO2 ', 'MALO2_NO ', &
464 : 'MALO2_NO2 ', 'MDIALO2_HO2 ', &
465 : 'MDIALO2_NO ', 'MDIALO2_NO2 ', &
466 : 'PHENO2_HO2 ', 'PHENO2_NO ', &
467 : 'PHENOL_OH ', 'PHENO_NO2 ', &
468 : 'PHENO_O3 ', 'PHENOOH_OH ', &
469 : 'tag_ACBZO2_NO2 ', 'TOLO2_HO2 ', &
470 : 'TOLO2_NO ', 'TOLOOH_OH ', &
471 : 'TOLUENE_OH ', 'usr_PBZNIT_M ', &
472 : 'XYLENES_OH ', 'XYLENO2_HO2 ', &
473 : 'XYLENO2_NO ', 'XYLENOOH_OH ', &
474 : 'XYLOLO2_HO2 ', 'XYLOLO2_NO ', &
475 : 'XYLOL_OH ', 'XYLOLOOH_OH ', &
476 : 'BCARY_NO3 ', 'BCARY_O3 ', &
477 : 'BCARY_OH ', 'MTERP_NO3 ', &
478 : 'MTERP_O3 ', 'MTERP_OH ', &
479 : 'NTERPO2_CH3O2 ', 'NTERPO2_HO2 ', &
480 : 'NTERPO2_NO ', 'NTERPO2_NO3 ', &
481 : 'NTERPOOH_OH ', 'TERP2O2_CH3O2 ', &
482 : 'TERP2O2_HO2 ', 'TERP2O2_NO ', &
483 : 'TERP2OOH_OH ', 'TERPNIT_OH ', &
484 : 'TERPO2_CH3O2 ', 'TERPO2_HO2 ', &
485 : 'TERPO2_NO ', 'TERPOOH_OH ', &
486 : 'TERPROD1_NO3 ', 'TERPROD1_OH ', &
487 : 'TERPROD2_OH ', 'DMS_NO3 ', &
488 : 'DMS_OHa ', 'OCS_O ', &
489 : 'OCS_OH ', 'S_O2 ', &
490 : 'S_O3 ', 'SO_BRO ', &
491 : 'SO_CLO ', 'S_OH ', &
492 : 'SO_NO2 ', 'SO_O2 ', &
493 : 'SO_O3 ', 'SO_OCLO ', &
494 : 'SO_OH ', 'usr_DMS_OH ', &
495 : 'usr_SO2_OH ', 'usr_SO3_H2O ', &
496 : 'NH3_OH ', 'usr_GLYOXAL_aer ', &
497 : 'usr_HO2_aer ', 'usr_HONITR_aer ', &
498 : 'usr_ISOPNITA_aer ', 'usr_ISOPNITB_aer ', &
499 : 'usr_N2O5_aer ', 'usr_NC4CH2OH_aer ', &
500 : 'usr_NC4CHO_aer ', 'usr_NH4_strat_tau ', &
501 : 'usr_NO2_aer ', 'usr_NO3_aer ', &
502 : 'usr_NTERPOOH_aer ', 'usr_ONITR_aer ', &
503 : 'usr_TERPNIT_aer ', 'BCARY_NO3_vbs ', &
504 : 'BCARYO2_HO2_vbs ', 'BCARYO2_NO_vbs ', &
505 : 'BCARY_O3_vbs ', 'BCARY_OH_vbs ', &
506 : 'BENZENE_OH_vbs ', 'BENZO2_HO2_vbs ', &
507 : 'BENZO2_NO_vbs ', 'ISOP_NO3_vbs ', &
508 : 'ISOPO2_HO2_vbs ', 'ISOPO2_NO_vbs ', &
509 : 'ISOP_O3_vbs ', 'ISOP_OH_vbs ', &
510 : 'IVOCO2_HO2_vbs ', 'IVOCO2_NO_vbs ', &
511 : 'IVOC_OH_vbs ', 'MTERP_NO3_vbs ', &
512 : 'MTERPO2_HO2_vbs ', 'MTERPO2_NO_vbs ', &
513 : 'MTERP_O3_vbs ', 'MTERP_OH_vbs ', &
514 : 'SVOC_OH ', 'TOLUENE_OH_vbs ', &
515 : 'TOLUO2_HO2_vbs ', 'TOLUO2_NO_vbs ', &
516 : 'XYLENES_OH_vbs ', 'XYLEO2_HO2_vbs ', &
517 : 'XYLEO2_NO_vbs ', 'het1 ', &
518 : 'het10 ', 'het11 ', &
519 : 'het12 ', 'het13 ', &
520 : 'het14 ', 'het15 ', &
521 : 'het16 ', 'het17 ', &
522 : 'het2 ', 'het3 ', &
523 : 'het4 ', 'het5 ', &
524 : 'het6 ', 'het7 ', &
525 : 'het8 ', 'het9 ', &
526 : 'E90_tau ', 'NH_50_tau ', &
527 205824 : 'NH_5_tau ', 'ST80_25_tau ' /)
528 0 : rxt_tag_map(:rxt_tag_cnt) = (/ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, &
529 : 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, &
530 : 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, &
531 : 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, &
532 : 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, &
533 : 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, &
534 : 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, &
535 : 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, &
536 : 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, &
537 : 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, &
538 : 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, &
539 : 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, &
540 : 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, &
541 : 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, &
542 : 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, &
543 : 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, &
544 : 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, &
545 : 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, &
546 : 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, &
547 : 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, &
548 : 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, &
549 : 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, &
550 : 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, &
551 : 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, &
552 : 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, &
553 : 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, &
554 : 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, &
555 : 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, &
556 : 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, &
557 : 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, &
558 : 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, &
559 : 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, &
560 : 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, &
561 : 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, &
562 : 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, &
563 : 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, &
564 : 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, &
565 : 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, &
566 : 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, &
567 : 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, &
568 : 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, &
569 : 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, &
570 : 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, &
571 : 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, &
572 : 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, &
573 : 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, &
574 : 461, 462, 463, 464, 465, 466, 467, 468, 469, 470, &
575 : 471, 472, 473, 474, 475, 476, 477, 478, 479, 480, &
576 : 481, 482, 483, 484, 485, 486, 487, 488, 489, 490, &
577 : 491, 492, 493, 494, 495, 496, 497, 498, 499, 500, &
578 : 501, 502, 503, 504, 505, 506, 507, 508, 509, 510, &
579 : 511, 512, 513, 514, 515, 516, 517, 518, 519, 520, &
580 : 521, 522, 523, 524, 525, 526, 527, 528, 529, 530, &
581 820224 : 531, 532 /)
582 1536 : if( allocated( pht_alias_lst ) ) then
583 0 : deallocate( pht_alias_lst )
584 : end if
585 1536 : allocate( pht_alias_lst(phtcnt,2),stat=ios )
586 1536 : if( ios /= 0 ) then
587 0 : write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_lst; error = ',ios
588 0 : call endrun
589 : end if
590 1536 : if( allocated( pht_alias_mult ) ) then
591 0 : deallocate( pht_alias_mult )
592 : end if
593 1536 : allocate( pht_alias_mult(phtcnt,2),stat=ios )
594 1536 : if( ios /= 0 ) then
595 0 : write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_mult; error = ',ios
596 0 : call endrun
597 : end if
598 0 : pht_alias_lst(:,1) = (/ ' ', ' ', ' ', ' ', &
599 : 'userdefined ', 'userdefined ', ' ', ' ', &
600 : ' ', ' ', ' ', ' ', &
601 : ' ', ' ', 'userdefined ', ' ', &
602 : ' ', ' ', ' ', ' ', &
603 : ' ', ' ', ' ', ' ', &
604 : ' ', ' ', ' ', ' ', &
605 : ' ', ' ', ' ', ' ', &
606 : ' ', ' ', ' ', ' ', &
607 : ' ', ' ', ' ', ' ', &
608 : ' ', ' ', ' ', ' ', &
609 : ' ', ' ', ' ', ' ', &
610 : ' ', ' ', ' ', ' ', &
611 : ' ', ' ', ' ', ' ', &
612 : ' ', ' ', ' ', ' ', &
613 : ' ', ' ', ' ', ' ', &
614 : ' ', ' ', ' ', ' ', &
615 : ' ', ' ', ' ', ' ', &
616 : ' ', ' ', ' ', ' ', &
617 : ' ', ' ', ' ', ' ', &
618 : ' ', ' ', ' ', ' ', &
619 : ' ', ' ', ' ', ' ', &
620 : ' ', ' ', ' ', ' ', &
621 : ' ', ' ', ' ', ' ', &
622 : ' ', ' ', ' ', ' ', &
623 : ' ', ' ', ' ', ' ', &
624 : ' ', ' ', ' ', ' ', &
625 : ' ', ' ', ' ', ' ', &
626 175104 : ' ' /)
627 0 : pht_alias_lst(:,2) = (/ ' ', ' ', ' ', ' ', &
628 : ' ', ' ', ' ', ' ', &
629 : ' ', ' ', ' ', ' ', &
630 : ' ', ' ', ' ', ' ', &
631 : ' ', ' ', 'jch3ooh ', 'jch3ooh ', &
632 : 'jch3ooh ', 'jno2 ', 'jno2 ', 'jno2 ', &
633 : 'jno2 ', 'jno2 ', 'jno2 ', 'jch3ooh ', &
634 : 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', ' ', &
635 : ' ', ' ', ' ', ' ', &
636 : 'jh2o2 ', ' ', ' ', ' ', &
637 : ' ', 'jch3ooh ', ' ', 'jmgly ', &
638 : 'jch2o_a ', 'jno2 ', ' ', 'jch3ooh ', &
639 : 'jch3ooh ', ' ', ' ', 'jacet ', &
640 : 'jch3ooh ', 'jpan ', ' ', 'jch2o_a ', &
641 : 'jch2o_a ', 'jch3ooh ', 'jch3cho ', ' ', &
642 : 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', 'jno2 ', &
643 : 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', 'jch3cho ', &
644 : 'jch3cho ', 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', &
645 : 'jch3ooh ', ' ', ' ', ' ', &
646 : ' ', ' ', ' ', ' ', &
647 : ' ', ' ', ' ', ' ', &
648 : ' ', ' ', ' ', ' ', &
649 : ' ', ' ', ' ', ' ', &
650 : ' ', ' ', ' ', ' ', &
651 : ' ', ' ', ' ', ' ', &
652 : ' ', ' ', ' ', ' ', &
653 : ' ', ' ', ' ', ' ', &
654 : ' ', ' ', ' ', ' ', &
655 175104 : ' ' /)
656 0 : pht_alias_mult(:,1) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
657 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
658 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
659 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
660 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
661 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
662 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
663 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
664 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
665 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
666 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
667 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
668 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
669 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
670 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
671 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
672 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
673 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
674 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
675 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
676 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
677 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
678 175104 : 1._r8, 1._r8, 1._r8 /)
679 0 : pht_alias_mult(:,2) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
680 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
681 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
682 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
683 : 1._r8, .10_r8, 0.2_r8, .14_r8, .20_r8, &
684 : .20_r8, .006_r8, 1._r8, 1._r8, 1._r8, &
685 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
686 : 1._r8, 0.28_r8, 1._r8, 1._r8, 1._r8, &
687 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
688 : .006_r8, 1._r8, 1._r8, 1._r8, 1._r8, &
689 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
690 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
691 : 1._r8, 1._r8, 1._r8, .10_r8, 1._r8, &
692 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
693 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
694 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
695 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
696 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
697 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
698 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
699 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
700 : 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, &
701 175104 : 1._r8, 1._r8, 1._r8 /)
702 1536 : allocate( cph_enthalpy(enthalpy_cnt),stat=ios )
703 1536 : if( ios /= 0 ) then
704 0 : write(iulog,*) 'set_sim_dat: failed to allocate cph_enthalpy; error = ',ios
705 0 : call endrun
706 : end if
707 1536 : allocate( cph_rid(enthalpy_cnt),stat=ios )
708 1536 : if( ios /= 0 ) then
709 0 : write(iulog,*) 'set_sim_dat: failed to allocate cph_rid; error = ',ios
710 0 : call endrun
711 : end if
712 : cph_rid(:) = (/ 116, 119, 120, 121, 124, &
713 : 127, 128, 129, 130, 133, &
714 : 134, 135, 138, 140, 144, &
715 29184 : 145, 153, 154 /)
716 : cph_enthalpy(:) = (/ 189.810000_r8, 392.190000_r8, 493.580000_r8, 101.390000_r8, 232.590000_r8, &
717 : 203.400000_r8, 226.580000_r8, 120.100000_r8, 194.710000_r8, 293.620000_r8, &
718 : 67.670000_r8, 165.300000_r8, 165.510000_r8, 313.750000_r8, 133.750000_r8, &
719 29184 : 193.020000_r8, 34.470000_r8, 199.170000_r8 /)
720 1536 : allocate( num_rnts(rxntot-phtcnt),stat=ios )
721 1536 : if( ios /= 0 ) then
722 0 : write(iulog,*) 'set_sim_dat: failed to allocate num_rnts; error = ',ios
723 0 : call endrun
724 : end if
725 : num_rnts(:) = (/ 2, 2, 2, 2, 2, 2, 3, 3, 2, 2, &
726 : 2, 2, 2, 3, 2, 2, 2, 2, 2, 2, &
727 : 2, 2, 2, 3, 2, 2, 2, 2, 2, 2, &
728 : 2, 2, 2, 3, 2, 2, 2, 2, 2, 2, &
729 : 2, 3, 2, 2, 3, 3, 3, 2, 2, 2, &
730 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
731 : 2, 2, 2, 2, 3, 2, 2, 2, 2, 2, &
732 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
733 : 2, 2, 2, 2, 3, 2, 2, 2, 2, 2, &
734 : 2, 2, 2, 2, 2, 3, 2, 2, 2, 2, &
735 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
736 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
737 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
738 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
739 : 2, 3, 3, 2, 2, 1, 2, 2, 2, 2, &
740 : 2, 2, 3, 3, 3, 2, 2, 2, 2, 2, &
741 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
742 : 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, &
743 : 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, &
744 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
745 : 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, &
746 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
747 : 2, 2, 2, 2, 2, 2, 2, 3, 2, 2, &
748 : 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
749 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, &
750 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
751 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
752 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
753 : 2, 2, 2, 2, 2, 2, 2, 2, 3, 2, &
754 : 2, 3, 2, 2, 3, 2, 2, 2, 2, 2, &
755 : 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, &
756 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
757 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
758 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
759 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
760 : 2, 2, 2, 2, 2, 2, 1, 1, 1, 1, &
761 : 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, &
762 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
763 : 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, &
764 : 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, &
765 : 1, 1, 1, 1, 2, 2, 2, 1, 1, 2, &
766 645120 : 2, 2, 1, 1, 2, 1, 1, 1, 1 /)
767 :
768 1536 : end subroutine set_sim_dat
769 :
770 : end module mo_sim_dat
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