[2696] | 1 | |
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| 2 | // ############################################################################ |
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| 3 | // |
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| 4 | // create_kpp_module |
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| 5 | // |
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| 6 | // create scalar code from .f90 sources created by KPP |
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| 7 | // |
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| 8 | // COPYRIGHT Klaus Ketelsen and MPI-CH April 2007 |
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| 9 | // |
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| 10 | // ############################################################################ |
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| 11 | // |
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| 12 | //Current revisions: |
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| 13 | //------------------ |
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[2768] | 14 | / |
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| 15 | / |
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[2696] | 16 | //Former revisions: |
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| 17 | //----------------- |
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| 18 | //$Id: create_kpp_module.C 2470 2017-09-14 13:56:42Z forkel $ |
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[2768] | 19 | // Removed preprocessor directive __chem again |
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[2696] | 20 | // |
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[2768] | 21 | / 2017-09-14 13:56:42Z forkel $ |
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| 22 | // |
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[2696] | 23 | // |
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| 24 | //added phot |
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| 25 | //change of some output to lowercase with uppercase Fortran |
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| 26 | // |
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| 27 | // Nov 2016: Intial version (Klaus Ketelsen) |
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| 28 | // |
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| 29 | |
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| 30 | #include <stdio.h> |
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| 31 | // mz_rs_20090111+ |
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| 32 | // stdlib is necessary to define getenv: |
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| 33 | #include <stdlib.h> |
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| 34 | // mz_rs_20090111- |
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| 35 | |
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| 36 | #include "create_kpp_module.h" |
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| 37 | #include "utils.h" |
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| 38 | |
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| 39 | void create_kpp_module::do_work (string s) { |
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| 40 | vector<fortran_file>::iterator it; |
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| 41 | vector<string>::iterator ic; |
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| 42 | vector<Vvar>::iterator iv; |
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| 43 | |
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| 44 | expand_decomp exp_de; |
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| 45 | |
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| 46 | prefix = s; |
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| 47 | module_name = prefix; |
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| 48 | |
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| 49 | cout << "Create " << module_name << " from kpp Fortran sources" <<endl; |
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| 50 | cout << "Vector mode " << kpp_switches.is_vector() <<endl; |
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| 51 | |
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| 52 | create_fortran_files_and_read(); |
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| 53 | cout << "## after create_fortran_files_and_read " <<endl; |
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| 54 | |
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| 55 | // Generate first module lines |
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| 56 | |
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[2768] | 57 | string first_line="MODULE " + module_name; |
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| 58 | mz_kpp.add_line(first_line); |
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| 59 | mz_kpp.add_line("!"); |
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| 60 | // mz_kpp.add_line("#if defined( __chem )"); |
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| 61 | // mz_kpp.add_line(" "); |
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[2696] | 62 | |
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| 63 | // string e5_line = first_line +"_e5"; |
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| 64 | // e5_kpp.add_line(e5_line); |
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| 65 | // e5_line = " USE " + module_name; |
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| 66 | // e5_kpp.add_line(e5_line); |
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| 67 | // e5_kpp.add_line(" "); |
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| 68 | |
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| 69 | // edit include files |
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| 70 | |
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| 71 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 72 | it->edit_inc(header_variables); |
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| 73 | |
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| 74 | // Create variable Species list and vector variable list |
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| 75 | |
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| 76 | if(it->get_name() == module_name + "_Parameters") { |
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| 77 | it->create_species_list(species_list); |
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| 78 | } |
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| 79 | if(it->get_name() == module_name + "_Global") { |
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| 80 | it->vector_variable_list(Vvar_list); |
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| 81 | } |
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| 82 | } |
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| 83 | |
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| 84 | // Prepare expansion of decomposition subroutine |
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| 85 | |
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| 86 | if(kpp_switches.de_indexing () > 0 ) { |
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| 87 | exp_de.create_sparse_info (kpp_includes, module_name); |
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| 88 | } |
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| 89 | |
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| 90 | // edit FORTRAN files |
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| 91 | |
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| 92 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 93 | it->edit_fortran (); |
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| 94 | } |
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| 95 | cout << "## after edit FORTRAN files " <<endl; |
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| 96 | |
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| 97 | // Generate a list of single subroutines from kpp-files |
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| 98 | // kpp files are modules containing several subroutines |
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| 99 | |
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| 100 | copy_files_to_subroutines (); |
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| 101 | |
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| 102 | // All header_variables to include list |
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| 103 | |
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| 104 | kpp_includes.push_back(header_variables); |
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| 105 | |
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| 106 | // Create decomposition subroutine |
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| 107 | if(kpp_switches.de_indexing () > 0 ) { |
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| 108 | exp_de.create_routine (kpp_subroutines); |
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| 109 | } |
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| 110 | |
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| 111 | |
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| 112 | if(kpp_switches.is_vector()) { |
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| 113 | |
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| 114 | // Change header section |
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| 115 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 116 | it->edit_inc_vec(global_variable_list); |
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| 117 | } |
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| 118 | |
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| 119 | // Change global variables to vector |
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| 120 | |
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| 121 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 122 | it->global_variables2vector (global_variable_list); |
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| 123 | } |
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| 124 | |
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| 125 | // Edit individual subroutines |
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| 126 | |
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| 127 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 128 | if(it->get_name() == "KppDecomp") { |
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| 129 | it->edit_KppDecomp(); |
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| 130 | } |
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| 131 | if(it->get_name() == "KppSolve") { |
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| 132 | it->edit_KppSolve(); |
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| 133 | } |
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| 134 | if(it->get_name() == "Jac_SP" ) { |
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| 135 | it->edit_Jac_SP(); |
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| 136 | } |
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| 137 | if(it->get_name() == "Fun" ) { |
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| 138 | it->edit_Fun(); |
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| 139 | } |
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| 140 | } |
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| 141 | cout << "## after Edit individual subroutines " <<endl; |
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| 142 | |
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| 143 | } |
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| 144 | |
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| 145 | // Update_RCONST has to be changed also in scalar mode |
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| 146 | |
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| 147 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 148 | if(it->get_name() == "update_rconst") { |
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| 149 | it->edit_Update_RCONST(Vvar_list); |
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| 150 | } |
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| 151 | } |
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| 152 | |
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| 153 | // Add Solver template to subroutine list |
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| 154 | if(kpp_switches.is_vector()) { |
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| 155 | add_solver_to_subroutine_list (); |
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| 156 | } |
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| 157 | |
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| 158 | // The module header will be taken from ../templates/module_header. |
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| 159 | // Please edit if header has to be changed. |
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| 160 | |
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| 161 | generate_module_header(); |
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| 162 | |
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| 163 | // Create kpp_integrate subroutine (chem_gasphase_integrate) for skalar and vector mode |
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| 164 | |
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| 165 | create_kpp_integrate(); |
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| 166 | // Copy include files |
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| 167 | |
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| 168 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 169 | it->copy_to_MZ_KPP(mz_kpp); |
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| 170 | } |
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| 171 | |
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| 172 | mz_kpp.add_line(" "); |
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| 173 | mz_kpp.add_line("! Interface Block "); |
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| 174 | mz_kpp.add_line(" "); |
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| 175 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 176 | string buf; |
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| 177 | |
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| 178 | string prefix = " "; |
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| 179 | for(ic=interface_ignore.begin();ic!=interface_ignore.end();ic++) { |
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| 180 | if(it->get_name() == *ic) { |
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| 181 | prefix = "!interface not working "; |
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| 182 | break; |
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| 183 | } |
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| 184 | } |
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| 185 | |
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| 186 | buf = prefix + "INTERFACE " + it->get_name() ; |
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| 187 | mz_kpp.add_line(buf); |
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| 188 | buf = prefix + " MODULE PROCEDURE " + it->get_name(); |
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| 189 | mz_kpp.add_line(buf); |
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| 190 | buf = prefix + "END INTERFACE " + it->get_name(); |
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| 191 | mz_kpp.add_line(buf); |
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| 192 | mz_kpp.add_line(" "); |
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| 193 | } |
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| 194 | for(iv=Vvar_list.begin();iv!=Vvar_list.end();iv++) { |
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| 195 | string buf; |
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| 196 | |
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| 197 | string sub_name = "fill_" + iv->name; |
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| 198 | buf = " INTERFACE " + sub_name; |
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| 199 | mz_kpp.add_line(buf); |
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| 200 | buf = " MODULE PROCEDURE " + sub_name; |
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| 201 | mz_kpp.add_line(buf); |
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| 202 | buf = " END INTERFACE " + sub_name; |
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| 203 | mz_kpp.add_line(buf); |
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| 204 | buf = " PUBLIC " + sub_name; |
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| 205 | mz_kpp.add_line(buf); |
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| 206 | mz_kpp.add_line(" "); |
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| 207 | } |
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| 208 | |
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| 209 | mz_kpp.add_line(" "); |
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| 210 | |
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| 211 | for(iv=Vvar_list.begin();iv!=Vvar_list.end();iv++) { |
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| 212 | create_fill_routine(kpp_subroutines, *iv); |
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| 213 | } |
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| 214 | |
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| 215 | // Copy FORTRAN subroutines to mz_kpp |
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| 216 | |
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| 217 | mz_kpp.add_line(" CONTAINS"); |
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| 218 | |
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| 219 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 220 | mz_kpp.add_line(" "); |
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| 221 | it->copy_to_MZ_KPP(mz_kpp); |
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| 222 | } |
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| 223 | |
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| 224 | // Finish module |
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| 225 | |
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[2768] | 226 | // mz_kpp.add_line("#endif"); |
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| 227 | string last_line="END MODULE " + module_name; |
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| 228 | mz_kpp.add_line(""); |
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| 229 | mz_kpp.add_line(last_line); |
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[2696] | 230 | |
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| 231 | // Handle e5 module |
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| 232 | |
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| 233 | // for(it=e5_subroutines.begin();it!=e5_subroutines.end();it++) { |
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| 234 | // e5_kpp.add_line(" "); |
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| 235 | // it->copy_to_MZ_KPP(e5_kpp); |
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| 236 | // } |
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| 237 | |
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| 238 | // last_line = last_line + "_e5"; |
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| 239 | // e5_kpp.add_line(" "); |
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| 240 | // e5_kpp.add_line(last_line); |
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| 241 | |
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| 242 | // Write the complete module to file: mz_kpp.f |
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| 243 | |
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| 244 | write_module_file(); |
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| 245 | |
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| 246 | return; |
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| 247 | } |
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| 248 | |
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| 249 | void create_kpp_module::create_fortran_files_and_read() { |
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| 250 | |
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| 251 | string name; |
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| 252 | ifstream in,in_c,in_b,in_i; |
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| 253 | fortran_file f_file; |
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| 254 | vector<fortran_file>::iterator it; |
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| 255 | |
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| 256 | // Open file with list of FORTRAN routines |
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| 257 | |
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| 258 | in.open("file_list"); |
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| 259 | if( !in ) { |
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| 260 | cout << "cannot open " << endl; my_abort("file_list"); |
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| 261 | } |
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| 262 | |
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| 263 | // Create kpp_fortran routines |
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| 264 | while ( 1 ) { |
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| 265 | in >> name; |
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| 266 | if( in.eof() ) break; |
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| 267 | if( in.bad() ) my_abort("ERROR_READ_1"); |
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| 268 | f_file.set_name(name); |
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| 269 | kpp_files.push_back(f_file); |
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| 270 | } |
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| 271 | in.close(); |
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| 272 | |
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| 273 | // Read FORTRAN code |
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| 274 | |
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| 275 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 276 | it->read(); |
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| 277 | } |
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| 278 | |
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| 279 | // Open file with list of include files |
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| 280 | |
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| 281 | in_c.open("include_list"); |
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| 282 | if( !in_c ) { |
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| 283 | cout << "cannot open " << endl; my_abort("include_list"); |
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| 284 | } |
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| 285 | |
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| 286 | // Create kpp_includes vector |
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| 287 | while ( 1 ) { |
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| 288 | in_c >> name; |
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| 289 | if( in_c.eof() ) break; |
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| 290 | if( in_c.bad() ) my_abort("ERROR_READ_3"); |
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| 291 | f_file.set_name(name); |
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| 292 | kpp_includes.push_back(f_file); |
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| 293 | } |
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| 294 | in_c.close(); |
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| 295 | |
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| 296 | // Read include files |
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| 297 | |
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| 298 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 299 | it->read(); |
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| 300 | } |
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| 301 | |
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| 302 | // Read Ignore list |
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| 303 | |
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| 304 | in_i.open("interface_ignore_list"); |
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| 305 | if( !in_i ) { |
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| 306 | cout << "cannot open " << endl; my_abort("include_list"); |
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| 307 | } |
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| 308 | |
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| 309 | // Create kpp_includes vector |
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| 310 | while ( 1 ) { |
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| 311 | in_i >> name; |
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| 312 | if( in_i.eof() ) break; |
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| 313 | if( in_i.bad() ) my_abort("ERROR_READ_4"); |
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| 314 | interface_ignore.push_back(name); |
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| 315 | } |
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| 316 | in_c.close(); |
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| 317 | |
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| 318 | } |
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| 319 | |
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| 320 | void create_kpp_module::copy_files_to_subroutines () { |
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| 321 | string name; |
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| 322 | ifstream in; |
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| 323 | fortran_file s_file; |
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| 324 | vector<fortran_file>::iterator it; |
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| 325 | |
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| 326 | // Open file with list of FORTRAN routines |
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| 327 | |
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| 328 | in.open("subroutine_list"); |
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| 329 | if( !in ) { |
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| 330 | cout << "cannot open " << endl; my_abort("subroutine_list"); |
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| 331 | } |
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| 332 | |
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| 333 | // Create vector kpp_subroutines |
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| 334 | |
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| 335 | while ( 1 ) { |
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| 336 | in >> name; |
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| 337 | if( in.eof() ) break; |
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| 338 | if( in.bad() ) my_abort("ERROR_READ_S1"); |
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| 339 | s_file.set_name(name); |
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| 340 | kpp_subroutines.push_back(s_file); |
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| 341 | } |
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| 342 | in.close(); |
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| 343 | |
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| 344 | header_variables.add_line(" "); |
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| 345 | header_variables.add_line("! variable definations from individual module headers "); |
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| 346 | header_variables.add_line(" "); |
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| 347 | |
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| 348 | // Loop over all FORTRAN Files |
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| 349 | |
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| 350 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 351 | it->copy_to_subroutine_vector(kpp_subroutines, header_variables); |
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| 352 | } |
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| 353 | } |
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| 354 | |
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| 355 | void create_kpp_module::add_solver_to_subroutine_list () { |
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| 356 | fortran_file s_file; |
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| 357 | |
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| 358 | string solver_name = getenv("KPP_SOLVER"); |
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| 359 | cout << "KPP_SOLVER " <<solver_name <<endl; |
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| 360 | |
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| 361 | s_file.set_name(solver_name); |
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| 362 | s_file.read(); |
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| 363 | kpp_subroutines.push_back(s_file); |
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| 364 | |
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| 365 | return; |
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| 366 | } |
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| 367 | |
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| 368 | void create_kpp_module::generate_module_header() { |
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| 369 | |
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| 370 | string buf; |
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| 371 | ifstream in; |
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| 372 | ifstream in_e5; |
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| 373 | program_line line; |
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| 374 | vector<fortran_file>::iterator it; |
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| 375 | char distr[2]; |
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| 376 | string diline; |
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| 377 | |
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| 378 | // Read Modul Header from file $MZ_KPP_HOME/templates/module_header |
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| 379 | |
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| 380 | in.open("module_header"); |
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| 381 | if( !in ) { |
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| 382 | cout << "cannot open " << endl; my_abort("module_header"); |
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| 383 | } |
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| 384 | |
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| 385 | while ( 1 ) { |
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| 386 | getline (in, buf); |
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| 387 | if( in.eof() ) break; |
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| 388 | if( in.bad() ) my_abort("ERROR_READ_4"); |
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| 389 | line.set_line(buf); |
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| 390 | mz_kpp.add_line(line); |
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| 391 | } |
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| 392 | mz_kpp.add_line(" "); |
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| 393 | mz_kpp.add_line("! Variables used for vector mode "); |
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| 394 | mz_kpp.add_line(" "); |
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| 395 | if(kpp_switches.is_vector()) { |
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| 396 | mz_kpp.add_line(" LOGICAL, PARAMETER :: l_vector = .TRUE. "); |
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| 397 | } else { |
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| 398 | mz_kpp.add_line(" LOGICAL, PARAMETER :: l_vector = .FALSE. "); |
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| 399 | } |
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| 400 | // mz_pj_20070531+ |
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| 401 | sprintf(distr,"%i",kpp_switches.de_indexing()); |
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| 402 | diline = distr ; |
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| 403 | mz_kpp.add_line(" INTEGER, PARAMETER :: i_lu_di = " + diline ); |
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| 404 | // mz_pj_20070531- |
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| 405 | |
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| 406 | mz_kpp.add_line(" INTEGER, PARAMETER :: vl_dim = " |
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| 407 | + kpp_switches.get_vector_length() ); |
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| 408 | mz_kpp.add_line(" INTEGER :: vl "); |
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| 409 | mz_kpp.add_line(" "); |
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| 410 | mz_kpp.add_line(" INTEGER :: vl_glo "); |
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| 411 | mz_kpp.add_line(" INTEGER :: is,ie "); |
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| 412 | mz_kpp.add_line(" "); |
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| 413 | mz_kpp.add_line(" INTEGER, DIMENSION(vl_dim) :: kacc, krej "); |
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| 414 | mz_kpp.add_line(" INTEGER, DIMENSION(vl_dim) :: ierrv "); |
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| 415 | mz_kpp.add_line(" LOGICAL :: data_loaded = .false. "); |
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| 416 | |
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| 417 | in.close(); |
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| 418 | |
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| 419 | // in_e5.open("module_header_e5"); |
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| 420 | // if( !in_e5 ) { |
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| 421 | // cout << "cannot open " << endl; my_abort("module_header_e5"); |
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| 422 | // } |
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| 423 | |
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| 424 | // while ( 1 ) { |
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| 425 | // getline (in_e5, buf); |
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| 426 | // if( in_e5.eof() ) break; |
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| 427 | // if( in_e5.bad() ) my_abort("ERROR_READ_4"); |
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| 428 | // line.set_line(buf); |
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| 429 | // e5_kpp.add_line(line); |
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| 430 | // } |
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| 431 | // in_e5.close(); |
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| 432 | |
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| 433 | return; |
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| 434 | } |
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| 435 | |
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| 436 | void create_kpp_module::write_module_file() { |
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| 437 | ofstream out; |
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| 438 | ofstream out_e5; |
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| 439 | |
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| 440 | string out_file = "kk_kpp.f90"; |
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| 441 | out.open(out_file.c_str(), ios::out); |
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| 442 | if( !out ) { |
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| 443 | cout << "cannot open " << endl; my_abort(out_file); |
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| 444 | } |
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| 445 | |
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| 446 | mz_kpp.write_file (out); |
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| 447 | |
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| 448 | out.close(); |
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| 449 | |
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| 450 | // out_file = "kk_mecca_kpp_e5.f90"; |
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| 451 | // out_e5.open(out_file.c_str(), ios::out); |
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| 452 | // if( !out_e5 ) { |
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| 453 | // cout << "cannot open " << endl; my_abort(out_file); |
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| 454 | // } |
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| 455 | |
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| 456 | // e5_kpp.write_file (out_e5); |
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| 457 | |
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| 458 | // out_e5.close(); |
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| 459 | |
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| 460 | return; |
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| 461 | } |
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| 462 | |
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| 463 | void create_kpp_module::create_kpp_integrate() { |
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| 464 | fortran_file kppi; |
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| 465 | vector<Vvar>::iterator iv; |
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| 466 | string line; |
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| 467 | |
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| 468 | kppi.set_name("chem_gasphase_integrate"); |
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| 469 | |
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| 470 | kppi.add_line("SUBROUTINE chem_gasphase_integrate (time_step_len, conc, tempk, photo, ierrf, xnacc, xnrej, istatus, l_debug, pe ) "); |
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| 471 | kppi.add_line(" "); |
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| 472 | kppi.add_line(" IMPLICIT NONE "); |
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| 473 | kppi.add_line(" "); |
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| 474 | |
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| 475 | kppi.add_line(" REAL(dp), INTENT(IN) :: time_step_len "); |
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| 476 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(INOUT) :: conc "); |
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| 477 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(INOUT) :: photo "); |
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| 478 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: tempk "); |
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| 479 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: ierrf(:) "); |
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| 480 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xnacc(:) "); |
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| 481 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xnrej(:) "); |
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| 482 | kppi.add_line(" INTEGER, INTENT(INOUT), OPTIONAL :: istatus(:) "); |
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| 483 | kppi.add_line(" INTEGER, INTENT(IN), OPTIONAL :: pe "); |
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| 484 | kppi.add_line(" LOGICAL, INTENT(IN), OPTIONAL :: l_debug "); |
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| 485 | kppi.add_line(" "); |
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| 486 | kppi.add_line(" INTEGER :: k ! loop variable "); |
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| 487 | kppi.add_line(" REAL(dp) :: dt "); |
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| 488 | kppi.add_line(" INTEGER, DIMENSION(20) :: istatus_u "); |
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| 489 | kppi.add_line(" INTEGER :: ierr_u "); |
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| 490 | kppi.add_line(" "); |
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| 491 | kppi.add_line(" "); |
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| 492 | kppi.add_line(" if (present (istatus) ) istatus = 0 "); |
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| 493 | kppi.add_line(" "); |
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| 494 | // kppi.add_line(" vk_glo = size(tempk,1) "); |
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| 495 | // kppi.add_line(" "); |
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| 496 | |
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| 497 | kppi.add_line(" DO k=1,vl_glo,vl_dim "); |
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| 498 | kppi.add_line(" is = k "); |
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| 499 | kppi.add_line(" ie = min(k+vl_dim-1,vl_glo) "); |
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| 500 | kppi.add_line(" vl = ie-is+1 "); |
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| 501 | |
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| 502 | kppi.add_line(" "); |
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| 503 | if(kpp_switches.is_vector()) { |
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| 504 | kppi.add_line(" c(1:vl,:) = conc(is:ie,:) "); |
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| 505 | } else { |
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| 506 | kppi.add_line(" c(:) = conc(is,:) "); |
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| 507 | } |
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| 508 | kppi.add_line(" "); |
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| 509 | if(kpp_switches.is_vector()) { |
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| 510 | kppi.add_line(" temp(1:vl) = tempk(is:ie) "); |
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| 511 | } else { |
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| 512 | kppi.add_line(" temp = tempk(is) "); |
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| 513 | } |
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| 514 | kppi.add_line(" "); |
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| 515 | if(kpp_switches.is_vector()) { |
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| 516 | kppi.add_line(" phot(1:vl,:) = photo(is:ie,:) "); |
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| 517 | } else { |
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| 518 | kppi.add_line(" phot(:) = photo(is,:) "); |
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| 519 | } |
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| 520 | kppi.add_line(" "); |
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| 521 | kppi.add_line(" CALL update_rconst "); |
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| 522 | kppi.add_line(" "); |
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| 523 | kppi.add_line(" dt = time_step_len "); |
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| 524 | kppi.add_line(" "); |
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| 525 | kppi.add_line(" ! integrate from t=0 to t=dt "); |
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| 526 | kppi.add_line(" CALL integrate(0._dp, dt, icntrl, rcntrl, istatus_u = istatus_u, ierr_u=ierr_u)"); |
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| 527 | kppi.add_line(" "); |
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| 528 | kppi.add_line(" "); |
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| 529 | if(kpp_switches.is_vector()) { |
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| 530 | kppi.add_line(" conc(is:ie,:) = c(1:VL,:) "); |
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| 531 | } else { |
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| 532 | kppi.add_line(" IF (PRESENT(l_debug) .AND. PRESENT(pe)) THEN "); |
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| 533 | kppi.add_line(" IF (l_debug) CALL error_output(conc(is,:),ierr_u, pe) "); |
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| 534 | kppi.add_line(" ENDIF "); |
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| 535 | kppi.add_line(" conc(is,:) = c(:) "); |
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| 536 | } |
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| 537 | |
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| 538 | kppi.add_line(" "); |
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| 539 | kppi.add_line(" ! Return Diagnostic Information "); |
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| 540 | kppi.add_line(" "); |
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| 541 | if(kpp_switches.is_vector()) { |
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| 542 | kppi.add_line(" if(PRESENT(ierrf)) ierrf(is:ie) = ierrv(1:vl) "); |
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| 543 | kppi.add_line(" if(PRESENT(xnacc)) xnacc(is:ie) = kacc(1:vl) "); |
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| 544 | kppi.add_line(" if(PRESENT(xnrej)) xnrej(is:ie) = krej(1:vl) "); |
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| 545 | } else { |
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| 546 | kppi.add_line(" if(PRESENT(ierrf)) ierrf(is) = ierr_u "); |
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| 547 | kppi.add_line(" if(PRESENT(xnacc)) xnacc(is) = istatus_u(4) "); |
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| 548 | kppi.add_line(" if(PRESENT(xnrej)) xnrej(is) = istatus_u(5) "); |
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| 549 | } |
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| 550 | kppi.add_line(" "); |
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| 551 | kppi.add_line(" if (PRESENT (istatus) ) then "); |
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| 552 | if(kpp_switches.is_vector()) { |
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| 553 | kppi.add_line(" istatus(4) = istatus(4) + sum(kacc(1:vl)) "); |
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| 554 | kppi.add_line(" istatus(5) = istatus(5) + sum(krej(1:vl)) "); |
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| 555 | kppi.add_line(" istatus(3) = istatus(4) + istatus(5) "); |
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| 556 | kppi.add_line(" istatus(6) = istatus(6) + istatus_u(6) "); |
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| 557 | kppi.add_line(" istatus(7) = istatus(7) + istatus_u(7) "); |
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| 558 | } else { |
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| 559 | kppi.add_line(" istatus(1:8) = istatus(1:8) + istatus_u(1:8) "); |
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| 560 | } |
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| 561 | kppi.add_line(" ENDIF "); |
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| 562 | kppi.add_line(" "); |
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| 563 | kppi.add_line(" END DO "); |
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| 564 | kppi.add_line(" "); |
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| 565 | |
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| 566 | kppi.add_line(" "); |
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| 567 | kppi.add_line("! Deallocate input arrays "); |
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| 568 | kppi.add_line(" "); |
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| 569 | for(iv=Vvar_list.begin();iv!=Vvar_list.end();iv++) { |
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| 570 | kppi.add_line(" if (ALLOCATED("+ iv->name +")) DEALLOCATE("+ iv->name +" ) "); |
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| 571 | } |
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| 572 | |
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| 573 | kppi.add_line(" "); |
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| 574 | kppi.add_line(" data_loaded = .false. "); |
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| 575 | kppi.add_line(" "); |
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| 576 | kppi.add_line(" RETURN "); |
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| 577 | kppi.add_line("END SUBROUTINE chem_gasphase_integrate "); |
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| 578 | |
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| 579 | // e5_subroutines.push_back(kppi); |
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| 580 | kpp_subroutines.push_back(kppi); |
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| 581 | |
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| 582 | return; |
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| 583 | } |
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| 584 | |
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| 585 | void create_kpp_module::create_fill_routine(vector<fortran_file> &fi_list, Vvar & var) { |
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| 586 | fortran_file fi; |
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| 587 | vector<string>::iterator is; |
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| 588 | string line; |
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| 589 | |
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| 590 | cout << "Generate fill subroutine for " << var.name << endl; |
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| 591 | |
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| 592 | fi.set_name(var.name); |
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| 593 | line = " SUBROUTINE fill_" + var.name; |
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| 594 | fi.add_line(line + "(status, array) "); |
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| 595 | fi.add_line(" "); |
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| 596 | fi.add_line(" INTEGER, INTENT(OUT) :: status "); |
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| 597 | if(var.nr_dim() == 0) { |
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| 598 | fi.add_line(" REAL(dp), INTENT(IN), DIMENSION(:) :: array "); |
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| 599 | fi.add_line(" "); |
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| 600 | fi.add_line(" status = 0"); |
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| 601 | fi.add_line(" IF (.not. ALLOCATED("+var.name+")) & "); |
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| 602 | fi.add_line(" ALLOCATE("+var.name+"(size(array))) "); |
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| 603 | } else if(var.nr_dim() == 1) { |
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| 604 | fi.add_line(" REAL (dp), INTENT(IN), DIMENSION(:,:) :: array "); |
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| 605 | fi.add_line(" "); |
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| 606 | fi.add_line(" status = 0 "); |
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| 607 | fi.add_line(" if (.not. ALLOCATED("+var.name+")) & "); |
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| 608 | fi.add_line(" ALLOCATE("+var.name+"(size(array,1),"+var.dim_var[0]+")) "); |
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| 609 | } else if(var.nr_dim() == 2) { |
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| 610 | fi.add_line(" "); |
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| 611 | fi.add_line(" REAL (dp), INTENT(IN), DIMENSION(:,:,:) :: array "); |
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| 612 | fi.add_line(" "); |
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| 613 | fi.add_line(" status = 0 "); |
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| 614 | fi.add_line(" if (.not. ALLOCATED("+var.name+")) & "); |
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| 615 | fi.add_line(" ALLOCATE("+var.name+"(size(array,1),"+var.dim_var[0]+var.dim_var[1]+")) "); |
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| 616 | } else { |
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| 617 | fi.add_line(" REAL (dp), INTENT(IN), DIMENSION(:,:,:,:) :: array "); |
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| 618 | fi.add_line(" "); |
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| 619 | fi.add_line(" status = 0 "); |
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| 620 | fi.add_line(" IF (.not. ALLOCATED("+var.name+")) & "); |
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| 621 | fi.add_line(" ALLOCATE("+var.name+"(size(array,1),"+var.dim_var[0] |
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| 622 | +var.dim_var[1]+var.dim_var[3]+")) "); |
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| 623 | } |
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| 624 | |
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| 625 | fi.add_line(" "); |
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| 626 | fi.add_line(" IF (data_loaded .AND. (vl_glo /= size(array,1)) ) THEN "); |
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| 627 | fi.add_line(" status = 1 "); |
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| 628 | fi.add_line(" RETURN "); |
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| 629 | fi.add_line(" END IF "); |
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| 630 | fi.add_line(" "); |
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| 631 | fi.add_line(" vl_glo = size(array,1) "); |
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| 632 | fi.add_line(" "+var.name+ " = array "); |
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| 633 | fi.add_line(" data_loaded = .TRUE. "); |
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| 634 | fi.add_line(" "); |
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| 635 | fi.add_line(" RETURN"); |
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| 636 | fi.add_line(" "); |
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| 637 | fi.add_line(" END " + line); |
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| 638 | |
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| 639 | fi_list.push_back(fi); |
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| 640 | |
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| 641 | return; |
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| 642 | } |
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