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 Dec 20, 2018 2:06:18 PM (3 years ago)
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palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_salsa+simple/chem_gasphase_mod.f90
r3585 r3639 113 113 ! 114 114 ! File : chem_gasphase_mod_Parameters.f90 115 ! Time : Fri Nov 30 13:52:202018116 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm115 ! Time : Thu Dec 20 14:58:04 2018 116 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 117 117 ! Equation file : chem_gasphase_mod.kpp 118 118 ! Output root filename : chem_gasphase_mod … … 126 126 127 127 ! NSPEC  Number of chemical species 128 INTEGER, PARAMETER :: nspec = 1 5128 INTEGER, PARAMETER :: nspec = 14 129 129 ! NVAR  Number of Variable species 130 130 INTEGER, PARAMETER :: nvar = 13 … … 132 132 INTEGER, PARAMETER :: nvaract = 11 133 133 ! NFIX  Number of Fixed species 134 INTEGER, PARAMETER :: nfix = 2134 INTEGER, PARAMETER :: nfix = 1 135 135 ! NREACT  Number of reactions 136 136 INTEGER, PARAMETER :: nreact = 11 … … 173 173 174 174 INTEGER, PARAMETER, PUBLIC :: ind_h2o = 14 175 INTEGER, PARAMETER, PUBLIC :: ind_o2 = 15176 175 177 176 ! Index declaration for fixed species in FIX … … 179 178 180 179 INTEGER, PARAMETER :: indf_h2o = 1 181 INTEGER, PARAMETER :: indf_o2 = 2182 180 183 181 ! NJVRP  Length of sparse Jacobian JVRP … … 203 201 ! 204 202 ! File : chem_gasphase_mod_Global.f90 205 ! Time : Fri Nov 30 13:52:202018206 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm203 ! Time : Thu Dec 20 14:58:04 2018 204 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 207 205 ! Equation file : chem_gasphase_mod.kpp 208 206 ! Output root filename : chem_gasphase_mod … … 276 274 ! 277 275 ! File : chem_gasphase_mod_JacobianSP.f90 278 ! Time : Fri Nov 30 13:52:202018279 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm276 ! Time : Thu Dec 20 14:58:04 2018 277 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 280 278 ! Equation file : chem_gasphase_mod.kpp 281 279 ! Output root filename : chem_gasphase_mod … … 328 326 ! 329 327 ! File : chem_gasphase_mod_Monitor.f90 330 ! Time : Fri Nov 30 13:52:202018331 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm328 ! Time : Thu Dec 20 14:58:04 2018 329 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 332 330 ! Equation file : chem_gasphase_mod.kpp 333 331 ! Output root filename : chem_gasphase_mod … … 339 337 340 338 341 CHARACTER(len=15), PARAMETER, DIMENSION(1 5):: spc_names = (/ &339 CHARACTER(len=15), PARAMETER, DIMENSION(14):: spc_names = (/ & 342 340 'H2SO4 ','NH3 ','OCNV ',& 343 341 'OCSV ','HNO3 ','RCHO ',& 344 342 'RH ','O3 ','OH ',& 345 343 'NO2 ','NO ','HO2 ',& 346 'RO2 ','H2O ' ,'O2 '/)344 'RO2 ','H2O ' /) 347 345 348 346 CHARACTER(len=100), PARAMETER, DIMENSION(11):: eqn_names = (/ & 349 347 ' NO2 > O3 + NO ',& 350 ' O3 > 2 OH + O2',&348 'O3 + H2O > 2 OH ',& 351 349 ' O3 + NO > NO2 ',& 352 350 ' RH + OH > RO2 + H2O ',& … … 402 400 ! 403 401 ! File : chem_gasphase_mod_Initialize.f90 404 ! Time : Fri Nov 30 13:52:202018405 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm402 ! Time : Thu Dec 20 14:58:04 2018 403 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 406 404 ! Equation file : chem_gasphase_mod.kpp 407 405 ! Output root filename : chem_gasphase_mod … … 428 426 ! 429 427 ! File : chem_gasphase_mod_Integrator.f90 430 ! Time : Fri Nov 30 13:52:202018431 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm428 ! Time : Thu Dec 20 14:58:04 2018 429 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 432 430 ! Equation file : chem_gasphase_mod.kpp 433 431 ! Output root filename : chem_gasphase_mod … … 486 484 ! 487 485 ! File : chem_gasphase_mod_LinearAlgebra.f90 488 ! Time : Fri Nov 30 13:52:202018489 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm486 ! Time : Thu Dec 20 14:58:04 2018 487 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 490 488 ! Equation file : chem_gasphase_mod.kpp 491 489 ! Output root filename : chem_gasphase_mod … … 513 511 ! 514 512 ! File : chem_gasphase_mod_Jacobian.f90 515 ! Time : Fri Nov 30 13:52:202018516 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm513 ! Time : Thu Dec 20 14:58:04 2018 514 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 517 515 ! Equation file : chem_gasphase_mod.kpp 518 516 ! Output root filename : chem_gasphase_mod … … 540 538 ! 541 539 ! File : chem_gasphase_mod_Function.f90 542 ! Time : Fri Nov 30 13:52:202018543 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm540 ! Time : Thu Dec 20 14:58:04 2018 541 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 544 542 ! Equation file : chem_gasphase_mod.kpp 545 543 ! Output root filename : chem_gasphase_mod … … 569 567 ! 570 568 ! File : chem_gasphase_mod_Rates.f90 571 ! Time : Fri Nov 30 13:52:202018572 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm569 ! Time : Thu Dec 20 14:58:04 2018 570 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 573 571 ! Equation file : chem_gasphase_mod.kpp 574 572 ! Output root filename : chem_gasphase_mod … … 595 593 ! 596 594 ! File : chem_gasphase_mod_Util.f90 597 ! Time : Fri Nov 30 13:52:202018598 ! Working directory : /home/forkelr/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm595 ! Time : Thu Dec 20 14:58:04 2018 596 ! Working directory : /home/forkelr/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 599 597 ! Equation file : chem_gasphase_mod.kpp 600 598 ! Output root filename : chem_gasphase_mod … … 806 804 ! Computation of equation rates 807 805 a(1) = rct(1) * v(10) 808 a(2) = rct(2) * v(8) 806 a(2) = rct(2) * v(8) * f(1) 809 807 a(3) = rct(3) * v(8) * v(11) 810 808 a(4) = rct(4) * v(7) * v(9) … … 872 870 ! Local variables 873 871 ! B  Temporary array 874 REAL(kind=dp):: b(1 6)872 REAL(kind=dp):: b(17) 875 873 876 874 ! B(1) = dA(1)/dV(10) 877 875 b(1) = rct(1) 878 876 ! B(2) = dA(2)/dV(8) 879 b(2) = rct(2) 880 ! B( 3) = dA(3)/dV(8)881 b( 3) = rct(3) * v(11)882 ! B( 4) = dA(3)/dV(11)883 b( 4) = rct(3) * v(8)884 ! B( 5) = dA(4)/dV(7)885 b( 5) = rct(4) * v(9)886 ! B( 6) = dA(4)/dV(9)887 b( 6) = rct(4) * v(7)888 ! B( 7) = dA(5)/dV(11)889 b( 7) = rct(5) * v(13)890 ! B( 8) = dA(5)/dV(13)891 b( 8) = rct(5) * v(11)892 ! B( 9) = dA(6)/dV(11)893 b( 9) = rct(6) * v(12)894 ! B(1 0) = dA(6)/dV(12)895 b(1 0) = rct(6) * v(11)896 ! B(1 1) = dA(7)/dV(9)897 b(1 1) = rct(7) * v(10)898 ! B(1 2) = dA(7)/dV(10)899 b(1 2) = rct(7) * v(9)900 ! B(1 3) = dA(8)/dV(1)901 b(1 3) = rct(8)902 ! B(1 4) = dA(9)/dV(2)903 b(1 4) = rct(9)904 ! B(1 5) = dA(10)/dV(3)905 b(1 5) = rct(10)906 ! B(1 6) = dA(11)/dV(4)907 b(1 6) = rct(11)877 b(2) = rct(2) * f(1) 878 ! B(4) = dA(3)/dV(8) 879 b(4) = rct(3) * v(11) 880 ! B(5) = dA(3)/dV(11) 881 b(5) = rct(3) * v(8) 882 ! B(6) = dA(4)/dV(7) 883 b(6) = rct(4) * v(9) 884 ! B(7) = dA(4)/dV(9) 885 b(7) = rct(4) * v(7) 886 ! B(8) = dA(5)/dV(11) 887 b(8) = rct(5) * v(13) 888 ! B(9) = dA(5)/dV(13) 889 b(9) = rct(5) * v(11) 890 ! B(10) = dA(6)/dV(11) 891 b(10) = rct(6) * v(12) 892 ! B(11) = dA(6)/dV(12) 893 b(11) = rct(6) * v(11) 894 ! B(12) = dA(7)/dV(9) 895 b(12) = rct(7) * v(10) 896 ! B(13) = dA(7)/dV(10) 897 b(13) = rct(7) * v(9) 898 ! B(14) = dA(8)/dV(1) 899 b(14) = rct(8) 900 ! B(15) = dA(9)/dV(2) 901 b(15) = rct(9) 902 ! B(16) = dA(10)/dV(3) 903 b(16) = rct(10) 904 ! B(17) = dA(11)/dV(4) 905 b(17) = rct(11) 908 906 909 907 ! Construct the Jacobian terms from B's … … 919 917 jvs(5) = 0 920 918 ! JVS(6) = Jac_FULL(5,9) 921 jvs(6) = b(1 1)919 jvs(6) = b(12) 922 920 ! JVS(7) = Jac_FULL(5,10) 923 jvs(7) = b(1 2)921 jvs(7) = b(13) 924 922 ! JVS(8) = Jac_FULL(6,6) 925 923 jvs(8) = 0 926 924 ! JVS(9) = Jac_FULL(6,11) 927 jvs(9) = b( 7)925 jvs(9) = b(8) 928 926 ! JVS(10) = Jac_FULL(6,13) 929 jvs(10) = b( 8)927 jvs(10) = b(9) 930 928 ! JVS(11) = Jac_FULL(7,7) 931 jvs(11) =  b( 5)929 jvs(11) =  b(6) 932 930 ! JVS(12) = Jac_FULL(7,9) 933 jvs(12) =  b( 6)931 jvs(12) =  b(7) 934 932 ! JVS(13) = Jac_FULL(8,8) 935 jvs(13) =  b(2)  b( 3)933 jvs(13) =  b(2)  b(4) 936 934 ! JVS(14) = Jac_FULL(8,10) 937 935 jvs(14) = b(1) 938 936 ! JVS(15) = Jac_FULL(8,11) 939 jvs(15) =  b( 4)937 jvs(15) =  b(5) 940 938 ! JVS(16) = Jac_FULL(9,7) 941 jvs(16) =  b( 5)939 jvs(16) =  b(6) 942 940 ! JVS(17) = Jac_FULL(9,8) 943 941 jvs(17) = 2* b(2) 944 942 ! JVS(18) = Jac_FULL(9,9) 945 jvs(18) =  b( 6)  b(11)943 jvs(18) =  b(7)  b(12) 946 944 ! JVS(19) = Jac_FULL(9,10) 947 jvs(19) =  b(1 2)945 jvs(19) =  b(13) 948 946 ! JVS(20) = Jac_FULL(9,11) 949 jvs(20) = b( 9)947 jvs(20) = b(10) 950 948 ! JVS(21) = Jac_FULL(9,12) 951 jvs(21) = b(1 0)949 jvs(21) = b(11) 952 950 ! JVS(22) = Jac_FULL(10,8) 953 jvs(22) = b( 3)951 jvs(22) = b(4) 954 952 ! JVS(23) = Jac_FULL(10,9) 955 jvs(23) =  b(1 1)953 jvs(23) =  b(12) 956 954 ! JVS(24) = Jac_FULL(10,10) 957 jvs(24) =  b(1)  b(1 2)955 jvs(24) =  b(1)  b(13) 958 956 ! JVS(25) = Jac_FULL(10,11) 959 jvs(25) = b( 4) + b(7) + b(9)957 jvs(25) = b(5) + b(8) + b(10) 960 958 ! JVS(26) = Jac_FULL(10,12) 961 jvs(26) = b(1 0)959 jvs(26) = b(11) 962 960 ! JVS(27) = Jac_FULL(10,13) 963 jvs(27) = b( 8)961 jvs(27) = b(9) 964 962 ! JVS(28) = Jac_FULL(11,8) 965 jvs(28) =  b( 3)963 jvs(28) =  b(4) 966 964 ! JVS(29) = Jac_FULL(11,10) 967 965 jvs(29) = b(1) 968 966 ! JVS(30) = Jac_FULL(11,11) 969 jvs(30) =  b( 4)  b(7)  b(9)967 jvs(30) =  b(5)  b(8)  b(10) 970 968 ! JVS(31) = Jac_FULL(11,12) 971 jvs(31) =  b(1 0)969 jvs(31) =  b(11) 972 970 ! JVS(32) = Jac_FULL(11,13) 973 jvs(32) =  b( 8)971 jvs(32) =  b(9) 974 972 ! JVS(33) = Jac_FULL(12,11) 975 jvs(33) = b( 7)  b(9)973 jvs(33) = b(8)  b(10) 976 974 ! JVS(34) = Jac_FULL(12,12) 977 jvs(34) =  b(1 0)975 jvs(34) =  b(11) 978 976 ! JVS(35) = Jac_FULL(12,13) 979 jvs(35) = b( 8)977 jvs(35) = b(9) 980 978 ! JVS(36) = Jac_FULL(13,7) 981 jvs(36) = b( 5)979 jvs(36) = b(6) 982 980 ! JVS(37) = Jac_FULL(13,9) 983 jvs(37) = b( 6)981 jvs(37) = b(7) 984 982 ! JVS(38) = Jac_FULL(13,10) 985 983 jvs(38) = 0 986 984 ! JVS(39) = Jac_FULL(13,11) 987 jvs(39) =  b( 7)985 jvs(39) =  b(8) 988 986 ! JVS(40) = Jac_FULL(13,12) 989 987 jvs(40) = 0 990 988 ! JVS(41) = Jac_FULL(13,13) 991 jvs(41) =  b( 8)989 jvs(41) =  b(9) 992 990 993 991 END SUBROUTINE jac_sp … … 1017 1015 1018 1016 rconst(1) = (phot(j_no2)) 1019 rconst(2) = ( phot(j_o31d))1017 rconst(2) = (2.0_dp * 2.2e10_dp * phot(j_o31d) / (arr2(1.9e+8_dp , 390.0_dp , temp))) 1020 1018 rconst(3) = (arr2(1.80e12_dp , 1370.0_dp , temp)) 1021 1019 rconst(4) = (arr2(2.00e11_dp , 500.0_dp , temp))
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