1 | !> @file chem_modules.f90 |
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2 | !--------------------------------------------------------------------------------------------------! |
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3 | ! This file is part of the PALM model system. |
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4 | ! |
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5 | ! PALM is free software: you can redistribute it and/or modify it under the terms of the GNU General |
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6 | ! Public License as published by the Free Software Foundation, either version 3 of the License, or |
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7 | ! (at your option) any later version. |
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8 | ! |
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9 | ! PALM is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the |
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10 | ! implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General |
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11 | ! Public License for more details. |
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12 | ! |
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13 | ! You should have received a copy of the GNU General Public License along with PALM. If not, see |
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14 | ! <http://www.gnu.org/licenses/>. |
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15 | ! |
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16 | ! Copyright 2018-2021 Leibniz Universitaet Hannover |
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17 | ! Copyright 2018-2021 Karlsruhe Institute of Technology |
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18 | ! Copyright 2018-2021 Freie Universitaet Berlin |
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19 | !--------------------------------------------------------------------------------------------------! |
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20 | ! |
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21 | ! Current revisions: |
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22 | ! ----------------- |
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23 | ! |
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24 | ! |
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25 | ! Former revisions: |
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26 | ! ----------------- |
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27 | ! $Id: chem_modules.f90 4828 2021-01-05 11:21:41Z moh.hefny $ |
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28 | ! Enable output of vertical fluxes of chemical species. |
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29 | ! |
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30 | ! 4577 2020-06-25 09:53:58Z raasch |
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31 | ! further re-formatting concerning Fortran parameter variables |
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32 | ! |
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33 | ! 4559 2020-06-11 08:51:48Z raasch |
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34 | ! file re-formatted to follow the PALM coding standard |
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35 | ! |
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36 | ! 4544 2020-05-21 14:43:05Z raasch |
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37 | ! conc_av changed from pointer to allocatable array |
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38 | ! |
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39 | ! 4511 2020-04-30 12:20:40Z raasch |
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40 | ! new variables for explicit settings of lateral boundary conditions introduced |
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41 | ! |
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42 | ! 4481 2020-03-31 18:55:54Z maronga |
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43 | ! added namelist flag 'emiss_read_legacy_mode' to allow concurrent functioning of new emission read |
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44 | ! mode under development (ECC) |
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45 | ! |
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46 | ! 4273 2019-10-24 13:40:54Z monakurppa |
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47 | ! Add logical switches nesting_chem and nesting_offline_chem (both .TRUE. by default) |
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48 | ! |
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49 | ! 4182 2019-08-22 15:20:23Z scharf |
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50 | ! Corrected "Former revisions" section |
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51 | ! |
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52 | ! 4110 2019-07-22 17:05:21Z suehring |
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53 | ! +cs_advc_flags_s |
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54 | ! |
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55 | ! 4109 2019-07-22 17:00:34Z suehring |
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56 | ! - introduced namelist item chem_modules@emiss_lod as future |
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57 | ! - replacement to chem_modules@mode_emis. Currently keeping both for backward compatibility. |
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58 | ! chem_modules@mode_emis will be depreciated upon migration of all dependent modules (e.g., salsa) |
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59 | ! to chem_modules@emiss_lod |
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60 | ! |
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61 | ! (ecc) 20190513 replaced nspec_out with n_matched_vars |
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62 | ! |
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63 | ! 3877 2019-04-08 19:09:16Z knoop |
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64 | ! Formatting, clean-up, clarified/corrected comments |
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65 | ! |
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66 | ! 3833 2019-03-28 15:04:04Z forkel |
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67 | ! removed USE chem_gasphase_mod |
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68 | ! |
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69 | ! 3827 2019-03-27 17:20:32Z forkel |
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70 | ! some formatting and reordering (ecc) |
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71 | ! |
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72 | ! 3820 2019-03-27 11:53:41Z forkel |
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73 | ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type |
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74 | ! |
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75 | ! 3780 2019-03-05 11:19:45Z forkel |
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76 | ! added cs_mech |
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77 | ! |
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78 | ! 3652 2019-01-07 15:29:59Z forkel |
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79 | ! parameter chem_mechanism added (basit) |
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80 | ! |
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81 | ! 3282 2018-09-27 10:49:12Z basit |
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82 | ! Initial revision |
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83 | ! |
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84 | ! Authors: |
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85 | ! -------- |
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86 | ! @author Farah Kanani-Suehring |
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87 | ! @author Basit Khan |
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88 | ! @author Sabine Banzhaf |
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89 | ! @author Emmanuele Russo |
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90 | ! @author Edward C. Chan |
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91 | ! |
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92 | !--------------------------------------------------------------------------------------------------! |
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93 | ! Description: |
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94 | ! ------------ |
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95 | !> Definition of global PALM-4U chemistry variables |
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96 | !--------------------------------------------------------------------------------------------------! |
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97 | ! |
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98 | MODULE chem_modules |
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99 | |
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100 | USE kinds |
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101 | |
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102 | IMPLICIT NONE |
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103 | |
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104 | REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol) |
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105 | REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol) |
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106 | REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol) |
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107 | REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol) |
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108 | REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol) |
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109 | REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol) |
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110 | REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol) |
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111 | REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol) |
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112 | REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol) |
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113 | REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol) |
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114 | REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol) |
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115 | REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol) |
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116 | REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol) |
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117 | REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol) |
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118 | REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol) |
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119 | REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol) |
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120 | REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol) |
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121 | REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol) |
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122 | REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol) |
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123 | REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol) |
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124 | REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol) |
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125 | REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol) |
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126 | REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol) |
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127 | REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol) |
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128 | REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol) |
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129 | |
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130 | CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface |
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131 | !< boundary condition for concentration |
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132 | CHARACTER (LEN=20) :: bc_cs_l = 'undefined' !< left boundary condition |
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133 | CHARACTER (LEN=20) :: bc_cs_n = 'undefined' !< north boundary condition |
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134 | CHARACTER (LEN=20) :: bc_cs_r = 'undefined' !< right boundary condition |
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135 | CHARACTER (LEN=20) :: bc_cs_s = 'undefined' !< south boundary condition |
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136 | CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary |
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137 | !< condition for concentration |
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138 | CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry |
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139 | !< mechanism |
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140 | CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day |
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141 | !< - workday, weekend, holiday |
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142 | CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of |
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143 | !< chemistry emissions - |
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144 | !< DEFAULT, EXPERT, PARAMETERIZED |
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145 | CHARACTER (LEN=10) :: photolysis_scheme !< 'constant', |
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146 | !< 'simple' (Simple parameterisation from MCM, |
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147 | !< Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 |
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148 | !< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) |
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149 | !< STILL NOT IMPLEMENTED |
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150 | CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis |
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151 | !< DEFAULT - HOUR, MDH |
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152 | |
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153 | CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: |
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154 | !<names of species with given fluxes |
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155 | !< (see csflux) |
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156 | CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: |
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157 | !< tbc...??? |
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158 | CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: |
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159 | !< tbc...??? |
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160 | CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: |
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161 | !< tbc...??? |
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162 | |
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163 | INTEGER(iwp) :: communicator_chem !< stores the number of the MPI communicator to be used |
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164 | !< for ghost layer data exchange |
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165 | !< 1: cyclic, 2: cyclic along x, 3: cyclic along y, |
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166 | !< 4: non-cyclic |
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167 | |
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168 | INTEGER(iwp) :: cs_pr_count_fl_res = 0 !< counter for vertical flux profiles of chemical species (resolved-scale) |
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169 | INTEGER(iwp) :: cs_pr_count_fl_sgs = 0 !< counter for vertical flux profiles of chemical species (SGS) |
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170 | INTEGER(iwp) :: cs_pr_count_sp = 0 !< counter for chemical species profiles |
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171 | INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of |
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172 | !< cs_vertical_gradient_level |
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173 | INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis) |
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174 | !< -1 = unassigned, 0 = parameterized, 1 = default, |
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175 | !< 2 = pre-processed |
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176 | INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b |
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177 | INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t |
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178 | INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs |
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179 | !< (OpenStreetMaps) for PARAMETERIZED mode |
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180 | INTEGER(iwp) :: max_pr_cs = 0 !< number of chemistry profiles in output |
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181 | INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs |
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182 | !< (OpenStreetMaps) for PARAMETERIZED mode |
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183 | INTEGER(iwp) :: n_matched_vars !< number of matched emissions |
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184 | !< variables |
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185 | INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs |
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186 | !< (OpenStreetMaps) for PARAMETERIZED mode |
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187 | |
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188 | INTEGER(iwp), DIMENSION(99) :: cs_pr_index_sp = 0 !< index for chemical species mean profiles |
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189 | INTEGER(iwp), DIMENSION(99) :: cs_pr_index_fl_res = 0 !< index for chemical species sgs-flux profiles |
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190 | INTEGER(iwp), DIMENSION(99) :: cs_pr_index_fl_sgs = 0 !< index for chemical species resolved-scale flux profiles |
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191 | INTEGER(iwp), DIMENSION(99) :: hom_index_fl_res = 0 !< index of the resolved-scale flux profile with respect to the hom array |
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192 | INTEGER(iwp), DIMENSION(99) :: hom_index_fl_sgs = 0 !< index of the SGS flux profile with respect to the hom array |
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193 | INTEGER(iwp), DIMENSION(99) :: hom_index_spec = 0 !< index of the profile with respect to the hom array |
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194 | INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx |
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195 | INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs |
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196 | INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx! |
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197 | |
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198 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species |
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199 | !< for matching routine |
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200 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species# |
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201 | !< for matching routine |
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202 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input |
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203 | !< components matching the model's VOCs |
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204 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species |
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205 | !< matching the input VOCs comp. |
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206 | |
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207 | INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for |
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208 | !< chemical species near walls and lateral boundaries |
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209 | |
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210 | LOGICAL :: bc_dirichlet_cs_l = .FALSE. !< flag for indicating a dirichlet condition at |
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211 | !< the left boundary |
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212 | LOGICAL :: bc_dirichlet_cs_n = .FALSE. !< flag for indicating a dirichlet condition at |
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213 | !< the north boundary |
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214 | LOGICAL :: bc_dirichlet_cs_r = .FALSE. !< flag for indicating a dirichlet condition at |
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215 | !< the right boundary |
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216 | LOGICAL :: bc_dirichlet_cs_s = .FALSE. !< flag for indicating a dirichlet condition at |
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217 | !< the south boundary |
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218 | LOGICAL :: bc_radiation_cs_l = .FALSE. !< flag for indicating a radiation/neumann |
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219 | !< condition at the left boundary |
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220 | LOGICAL :: bc_radiation_cs_n = .FALSE. !< flag for indicating a radiation/neumann |
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221 | !< condition at the north boundary |
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222 | LOGICAL :: bc_radiation_cs_r = .FALSE. !< flag for indicating a radiation/neumann |
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223 | !< condition at the right boundary |
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224 | LOGICAL :: bc_radiation_cs_s = .FALSE. !< flag for indicating a radiation/neumann |
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225 | !< condition at the south boundary |
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226 | LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no |
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227 | !< top_csflux is prescribed |
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228 | LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no |
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229 | !< surface_csflux is prescribed |
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230 | LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....??? |
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231 | LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print |
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232 | !< output |
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233 | LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output |
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234 | LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print |
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235 | !< output |
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236 | LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off |
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237 | !< chemical reactions |
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238 | LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...??? |
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239 | LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of |
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240 | !< deposition calculation |
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241 | LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on |
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242 | !< anthropogenic emissions |
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243 | LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs |
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244 | LOGICAL :: emiss_read_legacy_mode = .TRUE. !< namelist parameter: flag to read emission |
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245 | !< data using legacy mode |
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246 | LOGICAL :: nesting_chem = .TRUE. !< apply self-nesting for the chemistry model |
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247 | LOGICAL :: nesting_offline_chem = .TRUE. !< apply offline nesting for the chemistry |
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248 | !< model |
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249 | |
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250 | REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...??? |
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251 | REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...??? |
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252 | REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...??? |
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253 | REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...??? |
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254 | REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...??? |
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255 | REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
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256 | REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
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257 | REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...??? |
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258 | |
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259 | REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species |
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260 | !< concentration at surface |
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261 | REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels |
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262 | !< for initial chem species concentrations |
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263 | REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species |
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264 | !< concentration values at cs_heights levels |
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265 | |
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266 | REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species |
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267 | !< near domain top |
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268 | REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species |
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269 | |
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270 | REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: sums_ws_l !< subdomain sum of vertical chemistry flux w'ch' |
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271 | |
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272 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ??? |
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273 | |
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274 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of |
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275 | !< timelevels for respective quantity |
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276 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of |
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277 | !< timelevels for respective quantity |
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278 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of |
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279 | !< timelevels for respective quantity |
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280 | |
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281 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ??? |
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282 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ??? |
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283 | REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp) |
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284 | |
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285 | ! |
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286 | !- Define chemical variables within chem_species |
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287 | TYPE species_def |
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288 | |
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289 | CHARACTER(LEN=15) :: name !< name of chemical species |
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290 | CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3 |
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291 | !< for aerosol tracers) |
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292 | |
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293 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical |
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294 | !< species |
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295 | |
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296 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace |
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297 | !< gases at surface |
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298 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at |
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299 | !< south face of grid box of chemical species (='cs') |
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300 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation |
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301 | !< flux at south face of grid box of chemical species |
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302 | |
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303 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: conc_av !< averaged concentrations |
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304 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at |
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305 | !< left face of grid box of chemical species (='cs') |
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306 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation |
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307 | !< flux at left face of grid box of chemical species |
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308 | |
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309 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace |
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310 | !< gases |
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311 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time |
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312 | !< level |
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313 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc |
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314 | !< for previous sub-timestep (Runge-Kutta) |
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315 | |
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316 | END TYPE species_def |
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317 | ! |
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318 | !-- Define photolysis frequencies in phot_frequen |
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319 | TYPE photols_def |
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320 | |
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321 | CHARACTER(LEN=15) :: name !< name of pgotolysis frequency |
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322 | CHARACTER(LEN=15) :: unit !< unit (1/s) |
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323 | |
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324 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency |
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325 | |
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326 | END TYPE photols_def |
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327 | |
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328 | |
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329 | TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species |
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330 | TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen |
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331 | |
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332 | SAVE |
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333 | |
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334 | END MODULE chem_modules |
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