module mo_sim_dat private public :: set_sim_dat contains subroutine set_sim_dat use chem_mods, only : clscnt, cls_rxt_cnt, clsmap, permute, adv_mass, fix_mass, crb_mass use chem_mods, only : diag_map use chem_mods, only : phtcnt, rxt_tag_cnt, rxt_tag_lst, rxt_tag_map use chem_mods, only : pht_alias_lst, pht_alias_mult use chem_mods, only : extfrc_lst, inv_lst, slvd_lst use cam_abortutils, only : endrun use mo_tracname, only : solsym use chem_mods, only : frc_from_dataset use shr_kind_mod,only : r8 => shr_kind_r8 use cam_logfile, only : iulog implicit none !-------------------------------------------------------------- ! ... local variables !-------------------------------------------------------------- integer :: ios clscnt(:) = (/ 17, 0, 0, 42, 0 /) cls_rxt_cnt(:,1) = (/ 10, 41, 0, 17 /) cls_rxt_cnt(:,4) = (/ 23, 97, 114, 42 /) solsym(: 59) = (/ 'O3 ','O ','O1D ','O2 ','O2_1S ', & 'O2_1D ','N2O ','N ','NO ','NO2 ', & 'NO3 ','HNO3 ','HO2NO2 ','N2O5 ','CH4 ', & 'CH3O2 ','CH3OOH ','CH2O ','CO ','H2 ', & 'H ','OH ','HO2 ','H2O2 ','CLY ', & 'BRY ','CL ','CL2 ','CLO ','OCLO ', & 'CL2O2 ','HCL ','HOCL ','CLONO2 ','BRCL ', & 'BR ','BRO ','HBR ','HOBR ','BRONO2 ', & 'CH3CL ','CH3BR ','CFC11 ','CFC12 ','CFC113 ', & 'HCFC22 ','CCL4 ','CH3CCL3 ','CF3BR ','CF2CLBR ', & 'CO2 ','N2p ','O2p ','Np ','Op ', & 'NOp ','e ','N2D ','H2O ' /) adv_mass(: 59) = (/ 47.998200_r8, 15.999400_r8, 15.999400_r8, 31.998800_r8, 31.998800_r8, & 31.998800_r8, 44.012880_r8, 14.006740_r8, 30.006140_r8, 46.005540_r8, & 62.004940_r8, 63.012340_r8, 79.011740_r8, 108.010480_r8, 16.040600_r8, & 47.032000_r8, 48.039400_r8, 30.025200_r8, 28.010400_r8, 2.014800_r8, & 1.007400_r8, 17.006800_r8, 33.006200_r8, 34.013600_r8, 100.916850_r8, & 99.716850_r8, 35.452700_r8, 70.905400_r8, 51.452100_r8, 67.451500_r8, & 102.904200_r8, 36.460100_r8, 52.459500_r8, 97.457640_r8, 115.356700_r8, & 79.904000_r8, 95.903400_r8, 80.911400_r8, 96.910800_r8, 141.908940_r8, & 50.485900_r8, 94.937200_r8, 137.367503_r8, 120.913206_r8, 187.375310_r8, & 86.467906_r8, 153.821800_r8, 133.402300_r8, 148.910210_r8, 165.364506_r8, & 44.009800_r8, 28.013480_r8, 31.998800_r8, 14.006740_r8, 15.999400_r8, & 30.006140_r8, 0.548567E-03_r8, 14.006740_r8, 18.014200_r8 /) crb_mass(: 59) = (/ 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 12.011000_r8, & 12.011000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 12.011000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 12.011000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, 24.022000_r8, & 12.011000_r8, 12.011000_r8, 24.022000_r8, 12.011000_r8, 12.011000_r8, & 12.011000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8 /) fix_mass(: 2) = (/ 0.00000000_r8, 28.0134800_r8 /) clsmap(: 17,1) = (/ 15, 7, 19, 20, 41, 42, 43, 44, 45, 46, & 47, 48, 49, 50, 51, 25, 26 /) clsmap(: 42,4) = (/ 1, 2, 3, 4, 5, 6, 8, 9, 10, 22, & 11, 12, 13, 14, 16, 17, 18, 21, 23, 24, & 59, 27, 28, 29, 30, 31, 32, 33, 34, 35, & 36, 37, 38, 39, 40, 52, 53, 54, 55, 56, & 58, 57 /) permute(: 42,4) = (/ 42, 32, 36, 29, 3, 2, 22, 33, 35, 38, & 39, 17, 9, 7, 23, 8, 27, 28, 37, 14, & 26, 40, 5, 31, 4, 1, 41, 24, 25, 6, & 34, 30, 16, 18, 13, 15, 19, 10, 11, 20, & 12, 21 /) diag_map(: 42) = (/ 1, 4, 7, 9, 12, 14, 17, 23, 29, 36, & 43, 49, 54, 62, 71, 80, 86, 92, 100, 109, & 120, 131, 138, 148, 158, 167, 175, 187, 205, 221, & 244, 279, 302, 321, 345, 364, 389, 415, 433, 455, & 478, 496 /) extfrc_lst(: 11) = (/ 'NO ','NO2 ','CO ','Op ','O2p ', & 'Np ','N2p ','N2D ','N ','e ', & 'OH ' /) frc_from_dataset(: 11) = (/ .true., .true., .true., .false., .false., & .false., .false., .false., .false., .false., & .false. /) inv_lst(: 2) = (/ 'M ', 'N2 ' /) if( allocated( rxt_tag_lst ) ) then deallocate( rxt_tag_lst ) end if allocate( rxt_tag_lst(rxt_tag_cnt),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_lst; error = ',ios call endrun end if if( allocated( rxt_tag_map ) ) then deallocate( rxt_tag_map ) end if allocate( rxt_tag_map(rxt_tag_cnt),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_map; error = ',ios call endrun end if rxt_tag_lst(:rxt_tag_cnt) = (/ 'jo2_a ', 'jo2_b ', 'jo3_a ', 'jo3_b ', & 'jn2o ', 'jno ', 'jno_i ', 'jno2 ', & 'jn2o5_a ', 'jn2o5_b ', 'jhno3 ', 'jno3_a ', & 'jno3_b ', 'jho2no2_a ', 'jho2no2_b ', 'jch3ooh ', & 'jch2o_a ', 'jch2o_b ', 'jh2o_a ', 'jh2o_b ', & 'jh2o_c ', 'jh2o2 ', 'jcl2 ', 'jclo ', & 'joclo ', 'jcl2o2 ', 'jhocl ', 'jhcl ', & 'jclono2_a ', 'jclono2_b ', 'jbrcl ', 'jbro ', & 'jhobr ', 'jbrono2_a ', 'jbrono2_b ', 'jch3cl ', & 'jccl4 ', 'jch3ccl3 ', 'jcfcl3 ', 'jcf2cl2 ', & 'jcfc113 ', 'jhcfc22 ', 'jch3br ', 'jcf3br ', & 'jcf2clbr ', 'jco2 ', 'jch4_a ', 'jch4_b ', & 'jeuv_1 ', 'jeuv_2 ', 'jeuv_3 ', 'jeuv_4 ', & 'jeuv_5 ', 'jeuv_6 ', 'jeuv_7 ', 'jeuv_8 ', & 'jeuv_9 ', 'jeuv_10 ', 'jeuv_11 ', 'jeuv_12 ', & 'jeuv_13 ', 'jeuv_14 ', 'jeuv_15 ', 'jeuv_16 ', & 'jeuv_17 ', 'jeuv_18 ', 'jeuv_19 ', 'jeuv_20 ', & 'jeuv_21 ', 'jeuv_22 ', 'jeuv_23 ', 'jeuv_24 ', & 'jeuv_25 ', 'jeuv_26 ', 'usr_O_O2 ', 'cph_O_O3 ', & 'usr_O_O ', 'cph_O2_1S_O ', 'cph_O2_1S_O2 ', 'cph_O2_1S_N2 ', & 'cph_O2_1S_O3 ', 'ag2 ', 'cph_O2_1D_O ', 'cph_O2_1D_O2 ', & 'cph_O2_1D_N2 ', 'ag1 ', 'cph_O1D_N2 ', 'cph_O1D_O2 ', & 'cph_O1D_O2b ', 'cph_N2D_O2 ', 'cph_N2D_O ', 'cph_N_O2 ', & 'cph_N_NO ', 'cph_NO_HO2 ', 'cph_NO_O3 ', 'cph_NO2_O ', & 'tag_NO2_NO3 ', 'usr_N2O5_M ', 'tag_NO2_OH ', 'usr_HNO3_OH ', & 'tag_NO2_HO2 ', 'usr_HO2NO2_M ', 'usr_CO_OH_b ', 'cph_H_O2 ', & 'cph_H_O3 ', 'cph_H_HO2 ', 'cph_OH_O ', 'cph_OH_O3 ', & 'cph_OH_HO2 ', 'cph_HO2_O ', 'cph_HO2_O3 ', 'usr_HO2_HO2 ', & 'tag_CLO_CLO ', 'usr_CL2O2_M ', 'het1 ', 'het2 ', & 'het3 ', 'het4 ', 'het5 ', 'het6 ', & 'het7 ', 'het8 ', 'het9 ', 'het10 ', & 'het11 ', 'het12 ', 'het13 ', 'het14 ', & 'het15 ', 'het16 ', 'het17 ', 'ion_Op_O2 ', & 'ion_Op_N2 ', 'ion_N2p_Oa ', 'ion_O2p_N ', 'ion_O2p_NO ', & 'ion_Np_O2a ', 'ion_Np_O2b ', 'ion_Np_O ', 'ion_N2p_O2 ', & 'ion_N2p_Ob ', 'elec1 ', 'elec2 ', 'elec3 ' /) rxt_tag_map(:rxt_tag_cnt) = (/ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, & 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, & 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, & 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, & 81, 83, 84, 85, 86, 87, 88, 89, 90, 109, & 110, 111, 112, 115, 116, 117, 120, 121, 122, 123, & 128, 130, 139, 140, 141, 143, 145, 146, 147, 152, & 153, 154, 172, 173, 203, 204, 205, 206, 207, 208, & 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, & 219, 220, 221, 222, 224, 225, 226, 227, 228, 229, & 231, 232, 233, 234 /) if( allocated( pht_alias_lst ) ) then deallocate( pht_alias_lst ) end if allocate( pht_alias_lst(phtcnt,2),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_lst; error = ',ios call endrun end if if( allocated( pht_alias_mult ) ) then deallocate( pht_alias_mult ) end if allocate( pht_alias_mult(phtcnt,2),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_mult; error = ',ios call endrun end if pht_alias_lst(:,1) = (/ 'userdefined ', 'userdefined ', ' ', ' ', & ' ', 'userdefined ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ' /) pht_alias_lst(:,2) = (/ ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ', 'userdefined ', 'userdefined ', & 'userdefined ', 'userdefined ' /) pht_alias_mult(:,1) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8 /) pht_alias_mult(:,2) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8 /) end subroutine set_sim_dat end module mo_sim_dat