[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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[3458] | 14 | // |
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| 15 | // |
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[2696] | 16 | //Former revisions: |
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| 17 | //----------------- |
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[3458] | 18 | //$Id: create_kpp_module.C 3453 2018-10-30 13:21:51Z forkel $ |
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[3780] | 19 | // Added create_set_cs and cs_mech and get_mechanismname in module_header (05.03.2019, forkel) |
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| 20 | // |
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[3458] | 21 | // exclude kco_compress from handling by global_variables2vector (30.10.2018, forkel) |
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[2696] | 22 | // |
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[3458] | 23 | // Added automatic line with mechanism name (read mech_list) (25.09.2018, forkel) |
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[3298] | 24 | // |
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[3458] | 25 | // Added vl_glo = size(tempi,1) (20.09.2018, forkel) |
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[3298] | 26 | // |
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[3458] | 27 | // Removed creation of fill_ Subroutine and creation of calls thereof (18.09.2018, ketelsen) |
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[3298] | 28 | // |
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[3458] | 29 | // Fix in order not to loose the values of qvap and fakt (12.09.2018, forkel) |
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[3298] | 30 | // |
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[3458] | 31 | // Bug fixes: moved kppi.add_line(" CALL initialize after fakt = fakti(is) |
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| 32 | // Deleted definition of qvap,fakt in create_kpp_integrate again (03.09.2018, forkel) |
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[3298] | 33 | // |
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[3458] | 34 | // Changes for vector mode (edit_WAXPY, edit_FunTemplate, edit_JacTemplate, |
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| 35 | // some cleanup of comments, various changes in create_kpp_integrate) (July 2018, ketelsen) |
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[2768] | 36 | // |
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[3298] | 37 | // |
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[3458] | 38 | // Added qvap and fakt (June 2018, forkel) |
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| 39 | // --> Change in module_header: qvap, fakt added (June 2018, forkel) |
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| 40 | // |
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| 41 | // re-established original uppercase/lowercase (June 2018, forkel) |
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| 42 | // --> Change in module_header: reset case in Initialize, Integrate, and |
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| 43 | // Update_rconst (June 2018, forkel) |
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| 44 | // |
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| 45 | // Removed preprocessor directive __chem again (2017-09-14, forkel) |
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[2696] | 46 | // |
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[3458] | 47 | // Added phot (2017-09-14, forkel) |
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| 48 | // --> Change in module_header: Variables for photolyis added (2017-09-14, forkel) |
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[2696] | 49 | // |
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[3458] | 50 | // change of some output to lowercase with uppercase Fortran (2017, forkel) |
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[2696] | 51 | // |
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[3458] | 52 | // Intial version of KP4 adapted to PALM (Nov. 2016, ketelsen) |
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| 53 | // |
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[2696] | 54 | #include <stdio.h> |
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| 55 | // stdlib is necessary to define getenv: |
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| 56 | #include <stdlib.h> |
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| 57 | |
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| 58 | #include "create_kpp_module.h" |
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| 59 | #include "utils.h" |
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| 60 | |
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| 61 | void create_kpp_module::do_work (string s) { |
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| 62 | vector<fortran_file>::iterator it; |
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| 63 | vector<string>::iterator ic; |
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| 64 | vector<Vvar>::iterator iv; |
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| 65 | |
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| 66 | expand_decomp exp_de; |
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| 67 | |
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| 68 | prefix = s; |
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| 69 | module_name = prefix; |
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| 70 | |
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| 71 | cout << "Create " << module_name << " from kpp Fortran sources" <<endl; |
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| 72 | cout << "Vector mode " << kpp_switches.is_vector() <<endl; |
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[3298] | 73 | cout << "De_indexing " << kpp_switches.de_indexing() <<endl; |
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[2696] | 74 | |
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| 75 | create_fortran_files_and_read(); |
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| 76 | |
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| 77 | // Generate first module lines |
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| 78 | |
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[2768] | 79 | string first_line="MODULE " + module_name; |
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[3298] | 80 | mz_kpp.add_line(first_line); |
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| 81 | mz_kpp.add_line(" "); |
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[2696] | 82 | |
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| 83 | // string e5_line = first_line +"_e5"; |
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| 84 | // e5_kpp.add_line(e5_line); |
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| 85 | // e5_line = " USE " + module_name; |
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| 86 | // e5_kpp.add_line(e5_line); |
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| 87 | // e5_kpp.add_line(" "); |
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| 88 | |
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| 89 | // edit include files |
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| 90 | |
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| 91 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 92 | it->edit_inc(header_variables); |
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| 93 | |
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| 94 | // Create variable Species list and vector variable list |
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| 95 | |
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| 96 | if(it->get_name() == module_name + "_Parameters") { |
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| 97 | it->create_species_list(species_list); |
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| 98 | } |
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| 99 | if(it->get_name() == module_name + "_Global") { |
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| 100 | it->vector_variable_list(Vvar_list); |
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| 101 | } |
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| 102 | } |
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| 103 | |
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| 104 | // Prepare expansion of decomposition subroutine |
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| 105 | |
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| 106 | if(kpp_switches.de_indexing () > 0 ) { |
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| 107 | exp_de.create_sparse_info (kpp_includes, module_name); |
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| 108 | } |
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| 109 | |
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| 110 | // edit FORTRAN files |
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| 111 | |
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| 112 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 113 | it->edit_fortran (); |
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| 114 | } |
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| 115 | |
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| 116 | // Generate a list of single subroutines from kpp-files |
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| 117 | // kpp files are modules containing several subroutines |
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| 118 | |
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| 119 | copy_files_to_subroutines (); |
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| 120 | |
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| 121 | // All header_variables to include list |
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| 122 | |
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| 123 | kpp_includes.push_back(header_variables); |
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| 124 | |
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| 125 | // Create decomposition subroutine |
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| 126 | if(kpp_switches.de_indexing () > 0 ) { |
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| 127 | exp_de.create_routine (kpp_subroutines); |
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| 128 | } |
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| 129 | |
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| 130 | if(kpp_switches.is_vector()) { |
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| 131 | |
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[3298] | 132 | cout << "##### Hier kpp_switches.is_vector " <<endl; |
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[2696] | 133 | // Change header section |
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| 134 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 135 | it->edit_inc_vec(global_variable_list); |
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| 136 | } |
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| 137 | |
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[3458] | 138 | // Change global variables to vector (except for kp4_compress, which has already the right form) |
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[2696] | 139 | |
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| 140 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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[3458] | 141 | if(it->get_name() != "kco_compress" ) { |
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| 142 | it->global_variables2vector (global_variable_list); |
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| 143 | } |
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[2696] | 144 | } |
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| 145 | |
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| 146 | // Edit individual subroutines |
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| 147 | |
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| 148 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 149 | if(it->get_name() == "KppDecomp") { |
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| 150 | it->edit_KppDecomp(); |
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| 151 | } |
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| 152 | if(it->get_name() == "KppSolve") { |
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| 153 | it->edit_KppSolve(); |
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| 154 | } |
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| 155 | if(it->get_name() == "Jac_SP" ) { |
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| 156 | it->edit_Jac_SP(); |
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| 157 | } |
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| 158 | if(it->get_name() == "Fun" ) { |
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| 159 | it->edit_Fun(); |
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| 160 | } |
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[3298] | 161 | if(it->get_name() == "WAXPY" ) { |
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| 162 | it->edit_WAXPY(); |
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| 163 | } |
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| 164 | if(it->get_name() == "FunTemplate" ) { |
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| 165 | it->edit_FunTemplate(); |
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| 166 | } |
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| 167 | if(it->get_name() == "JacTemplate" ) { |
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| 168 | it->edit_JacTemplate(); |
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| 169 | } |
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[2696] | 170 | } |
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| 171 | } |
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| 172 | |
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| 173 | // Update_RCONST has to be changed also in scalar mode |
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| 174 | |
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| 175 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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[3298] | 176 | if(it->get_name() == "Update_RCONST") { |
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[2696] | 177 | it->edit_Update_RCONST(Vvar_list); |
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| 178 | } |
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[3298] | 179 | |
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| 180 | if(it->get_name() == "Initialize") { |
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| 181 | it->edit_Initialize(Vvar_list); |
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| 182 | } |
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| 183 | |
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[2696] | 184 | } |
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| 185 | |
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| 186 | // Add Solver template to subroutine list |
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| 187 | if(kpp_switches.is_vector()) { |
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| 188 | add_solver_to_subroutine_list (); |
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| 189 | } |
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| 190 | |
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| 191 | // The module header will be taken from ../templates/module_header. |
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| 192 | // Please edit if header has to be changed. |
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| 193 | |
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| 194 | generate_module_header(); |
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| 195 | |
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[3780] | 196 | // create_set_cs |
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| 197 | create_set_cs(); |
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| 198 | |
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[2696] | 199 | // Create kpp_integrate subroutine (chem_gasphase_integrate) for skalar and vector mode |
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| 200 | |
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| 201 | create_kpp_integrate(); |
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| 202 | // Copy include files |
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| 203 | |
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| 204 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 205 | it->copy_to_MZ_KPP(mz_kpp); |
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| 206 | } |
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| 207 | |
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| 208 | mz_kpp.add_line(" "); |
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| 209 | mz_kpp.add_line("! Interface Block "); |
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| 210 | mz_kpp.add_line(" "); |
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| 211 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 212 | string buf; |
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| 213 | |
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| 214 | string prefix = " "; |
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| 215 | for(ic=interface_ignore.begin();ic!=interface_ignore.end();ic++) { |
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| 216 | if(it->get_name() == *ic) { |
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| 217 | prefix = "!interface not working "; |
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| 218 | break; |
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| 219 | } |
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| 220 | } |
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| 221 | |
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[3298] | 222 | buf = prefix + "interface " + it->get_name() ; |
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[2696] | 223 | mz_kpp.add_line(buf); |
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[3298] | 224 | buf = prefix + " module procedure " + it->get_name(); |
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[2696] | 225 | mz_kpp.add_line(buf); |
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[3298] | 226 | buf = prefix + "end interface " + it->get_name(); |
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[2696] | 227 | mz_kpp.add_line(buf); |
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| 228 | mz_kpp.add_line(" "); |
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| 229 | } |
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| 230 | |
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| 231 | mz_kpp.add_line(" "); |
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| 232 | |
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| 233 | |
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| 234 | // Copy FORTRAN subroutines to mz_kpp |
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| 235 | |
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| 236 | mz_kpp.add_line(" CONTAINS"); |
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| 237 | |
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| 238 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 239 | mz_kpp.add_line(" "); |
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| 240 | it->copy_to_MZ_KPP(mz_kpp); |
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| 241 | } |
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| 242 | |
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| 243 | // Finish module |
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| 244 | |
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[3298] | 245 | string last_line="end module " + module_name; |
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| 246 | mz_kpp.add_line(""); |
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| 247 | mz_kpp.add_line(last_line); |
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[2696] | 248 | |
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| 249 | // Write the complete module to file: mz_kpp.f |
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| 250 | |
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| 251 | write_module_file(); |
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| 252 | |
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| 253 | return; |
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| 254 | } |
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| 255 | |
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| 256 | void create_kpp_module::create_fortran_files_and_read() { |
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| 257 | |
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| 258 | string name; |
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| 259 | ifstream in,in_c,in_b,in_i; |
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| 260 | fortran_file f_file; |
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| 261 | vector<fortran_file>::iterator it; |
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| 262 | |
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| 263 | // Open file with list of FORTRAN routines |
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| 264 | |
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| 265 | in.open("file_list"); |
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| 266 | if( !in ) { |
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| 267 | cout << "cannot open " << endl; my_abort("file_list"); |
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| 268 | } |
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| 269 | |
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| 270 | // Create kpp_fortran routines |
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| 271 | while ( 1 ) { |
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| 272 | in >> name; |
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| 273 | if( in.eof() ) break; |
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| 274 | if( in.bad() ) my_abort("ERROR_READ_1"); |
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| 275 | f_file.set_name(name); |
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| 276 | kpp_files.push_back(f_file); |
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| 277 | } |
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| 278 | in.close(); |
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| 279 | |
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| 280 | // Read FORTRAN code |
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| 281 | |
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| 282 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 283 | it->read(); |
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| 284 | } |
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| 285 | |
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| 286 | // Open file with list of include files |
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| 287 | |
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| 288 | in_c.open("include_list"); |
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| 289 | if( !in_c ) { |
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| 290 | cout << "cannot open " << endl; my_abort("include_list"); |
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| 291 | } |
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| 292 | |
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| 293 | // Create kpp_includes vector |
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| 294 | while ( 1 ) { |
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| 295 | in_c >> name; |
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| 296 | if( in_c.eof() ) break; |
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| 297 | if( in_c.bad() ) my_abort("ERROR_READ_3"); |
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| 298 | f_file.set_name(name); |
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| 299 | kpp_includes.push_back(f_file); |
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| 300 | } |
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| 301 | in_c.close(); |
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| 302 | |
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| 303 | // Read include files |
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| 304 | |
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| 305 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 306 | it->read(); |
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| 307 | } |
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| 308 | |
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| 309 | // Read Ignore list |
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| 310 | |
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| 311 | in_i.open("interface_ignore_list"); |
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| 312 | if( !in_i ) { |
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| 313 | cout << "cannot open " << endl; my_abort("include_list"); |
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| 314 | } |
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| 315 | |
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| 316 | // Create kpp_includes vector |
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| 317 | while ( 1 ) { |
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| 318 | in_i >> name; |
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| 319 | if( in_i.eof() ) break; |
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| 320 | if( in_i.bad() ) my_abort("ERROR_READ_4"); |
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| 321 | interface_ignore.push_back(name); |
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| 322 | } |
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| 323 | in_c.close(); |
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| 324 | |
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| 325 | } |
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| 326 | |
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| 327 | void create_kpp_module::copy_files_to_subroutines () { |
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| 328 | string name; |
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| 329 | ifstream in; |
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| 330 | fortran_file s_file; |
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| 331 | vector<fortran_file>::iterator it; |
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| 332 | |
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| 333 | // Open file with list of FORTRAN routines |
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| 334 | |
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| 335 | in.open("subroutine_list"); |
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| 336 | if( !in ) { |
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| 337 | cout << "cannot open " << endl; my_abort("subroutine_list"); |
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| 338 | } |
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| 339 | |
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| 340 | // Create vector kpp_subroutines |
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| 341 | |
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| 342 | while ( 1 ) { |
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| 343 | in >> name; |
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| 344 | if( in.eof() ) break; |
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| 345 | if( in.bad() ) my_abort("ERROR_READ_S1"); |
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| 346 | s_file.set_name(name); |
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| 347 | kpp_subroutines.push_back(s_file); |
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| 348 | } |
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| 349 | in.close(); |
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| 350 | |
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| 351 | header_variables.add_line(" "); |
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| 352 | header_variables.add_line("! variable definations from individual module headers "); |
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| 353 | header_variables.add_line(" "); |
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| 354 | |
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| 355 | // Loop over all FORTRAN Files |
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| 356 | |
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| 357 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 358 | it->copy_to_subroutine_vector(kpp_subroutines, header_variables); |
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| 359 | } |
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| 360 | } |
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| 361 | |
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| 362 | void create_kpp_module::add_solver_to_subroutine_list () { |
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| 363 | fortran_file s_file; |
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| 364 | |
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| 365 | string solver_name = getenv("KPP_SOLVER"); |
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| 366 | cout << "KPP_SOLVER " <<solver_name <<endl; |
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| 367 | |
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| 368 | s_file.set_name(solver_name); |
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| 369 | s_file.read(); |
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| 370 | kpp_subroutines.push_back(s_file); |
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| 371 | |
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| 372 | return; |
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| 373 | } |
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| 374 | |
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| 375 | void create_kpp_module::generate_module_header() { |
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| 376 | |
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| 377 | string buf; |
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| 378 | ifstream in; |
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| 379 | ifstream in_e5; |
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| 380 | program_line line; |
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| 381 | vector<fortran_file>::iterator it; |
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| 382 | char distr[2]; |
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| 383 | string diline; |
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| 384 | |
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[3298] | 385 | // Read mechanism from mech_list |
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| 386 | |
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| 387 | in.open("mech_list"); |
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| 388 | if( !in ) { |
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| 389 | cout << "cannot open " << endl; my_abort("mech_list"); |
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| 390 | } |
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| 391 | |
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| 392 | while ( 1 ) { |
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| 393 | getline (in, buf); |
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| 394 | if( in.eof() ) break; |
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| 395 | if( in.bad() ) my_abort("ERROR_READ_4"); |
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| 396 | line.set_line(buf); |
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| 397 | mz_kpp.add_line(line); |
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| 398 | } |
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| 399 | in.close(); |
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| 400 | |
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| 401 | |
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[2696] | 402 | // Read Modul Header from file $MZ_KPP_HOME/templates/module_header |
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| 403 | |
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| 404 | in.open("module_header"); |
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| 405 | if( !in ) { |
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| 406 | cout << "cannot open " << endl; my_abort("module_header"); |
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| 407 | } |
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| 408 | |
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| 409 | while ( 1 ) { |
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| 410 | getline (in, buf); |
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| 411 | if( in.eof() ) break; |
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| 412 | if( in.bad() ) my_abort("ERROR_READ_4"); |
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| 413 | line.set_line(buf); |
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| 414 | mz_kpp.add_line(line); |
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| 415 | } |
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| 416 | mz_kpp.add_line(" "); |
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| 417 | mz_kpp.add_line("! Variables used for vector mode "); |
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| 418 | mz_kpp.add_line(" "); |
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| 419 | if(kpp_switches.is_vector()) { |
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[3298] | 420 | mz_kpp.add_line(" logical,parameter :: L_VECTOR = .TRUE. "); |
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[2696] | 421 | } else { |
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[3298] | 422 | mz_kpp.add_line(" logical,parameter :: L_VECTOR = .FALSE. "); |
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[2696] | 423 | } |
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| 424 | // mz_pj_20070531+ |
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| 425 | sprintf(distr,"%i",kpp_switches.de_indexing()); |
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| 426 | diline = distr ; |
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[3298] | 427 | mz_kpp.add_line(" integer,parameter :: I_LU_DI = " + diline ); |
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[2696] | 428 | // mz_pj_20070531- |
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| 429 | |
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[3298] | 430 | mz_kpp.add_line(" integer,parameter :: VL_DIM = " |
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| 431 | + kpp_switches.get_vector_length() ); |
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| 432 | mz_kpp.add_line(" integer :: vl "); |
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[2696] | 433 | mz_kpp.add_line(" "); |
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[3298] | 434 | mz_kpp.add_line(" integer :: VL_glo "); |
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| 435 | mz_kpp.add_line(" integer :: is,ie "); |
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[2696] | 436 | mz_kpp.add_line(" "); |
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[3298] | 437 | mz_kpp.add_line(" "); |
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| 438 | mz_kpp.add_line(" integer, dimension(VL_dim) :: Kacc,Krej "); |
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| 439 | mz_kpp.add_line(" integer, dimension(VL_dim) :: IERRV "); |
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| 440 | mz_kpp.add_line(" logical :: data_loaded = .false. "); |
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| 441 | |
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[2696] | 442 | in.close(); |
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| 443 | |
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| 444 | return; |
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| 445 | } |
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| 446 | |
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| 447 | void create_kpp_module::write_module_file() { |
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| 448 | ofstream out; |
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| 449 | ofstream out_e5; |
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| 450 | |
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| 451 | string out_file = "kk_kpp.f90"; |
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| 452 | out.open(out_file.c_str(), ios::out); |
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| 453 | if( !out ) { |
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| 454 | cout << "cannot open " << endl; my_abort(out_file); |
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| 455 | } |
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| 456 | |
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| 457 | mz_kpp.write_file (out); |
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| 458 | |
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| 459 | out.close(); |
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| 460 | |
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| 461 | |
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| 462 | return; |
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| 463 | } |
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| 464 | |
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[3780] | 465 | void create_kpp_module::create_set_cs() { |
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| 466 | fortran_file kppi; |
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| 467 | vector<Vvar>::iterator iv; |
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| 468 | string xline; |
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| 469 | |
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| 470 | string buf; |
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| 471 | ifstream in; |
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| 472 | program_line line; |
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| 473 | |
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| 474 | kppi.set_name("get_mechanismname"); |
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| 475 | kppi.add_line("SUBROUTINE get_mechanismname "); |
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| 476 | kppi.add_line(" "); |
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| 477 | kppi.add_line(" IMPLICIT NONE "); |
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| 478 | // Read mechanism from set_cm |
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| 479 | // Tis got an own own subroutine to aviod being called at each timestep |
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| 480 | |
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| 481 | in.open("set_cm"); |
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| 482 | if( !in ) { |
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| 483 | cout << "cannot open " << endl; my_abort("set_cm"); |
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| 484 | } |
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| 485 | |
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| 486 | while ( 1 ) { |
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| 487 | getline (in, buf); |
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| 488 | if( in.eof() ) break; |
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| 489 | if( in.bad() ) my_abort("ERROR_READ_4"); |
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| 490 | line.set_line(buf); |
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| 491 | kppi.add_line(line); |
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| 492 | } |
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| 493 | in.close(); |
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| 494 | |
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| 495 | kppi.add_line(" "); |
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| 496 | kppi.add_line(" return "); |
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| 497 | kppi.add_line("END SUBROUTINE get_mechanismname "); |
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| 498 | kppi.add_line(" "); |
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| 499 | kpp_subroutines.push_back(kppi); |
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| 500 | |
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| 501 | return; |
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| 502 | } |
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| 503 | |
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| 504 | |
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[2696] | 505 | void create_kpp_module::create_kpp_integrate() { |
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| 506 | fortran_file kppi; |
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| 507 | vector<Vvar>::iterator iv; |
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[3780] | 508 | string xline; |
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[2696] | 509 | |
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[3780] | 510 | |
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[2696] | 511 | kppi.set_name("chem_gasphase_integrate"); |
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| 512 | |
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[3298] | 513 | kppi.add_line("SUBROUTINE chem_gasphase_integrate (time_step_len, conc, tempi, qvapi, fakti, photo, ierrf, xnacc, xnrej, istatus, l_debug, pe, icntrl_i, rcntrl_i ) "); |
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[2696] | 514 | kppi.add_line(" "); |
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| 515 | kppi.add_line(" IMPLICIT NONE "); |
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| 516 | kppi.add_line(" "); |
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| 517 | |
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[3298] | 518 | kppi.add_line(" REAL(dp), INTENT(IN) :: time_step_len "); |
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[2696] | 519 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(INOUT) :: conc "); |
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[3298] | 520 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(IN) :: photo "); |
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| 521 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: tempi "); |
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| 522 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: qvapi "); |
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| 523 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: fakti "); |
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| 524 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: ierrf(:) "); |
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| 525 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xNacc(:) "); |
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| 526 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xNrej(:) "); |
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| 527 | kppi.add_line(" INTEGER, INTENT(INOUT), OPTIONAL :: istatus(:) "); |
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| 528 | kppi.add_line(" INTEGER, INTENT(IN), OPTIONAL :: PE "); |
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| 529 | kppi.add_line(" LOGICAL, INTENT(IN), OPTIONAL :: l_debug "); |
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| 530 | kppi.add_line(" INTEGER, DIMENSION(nkppctrl),INTENT(IN), OPTIONAL :: icntrl_i "); |
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| 531 | kppi.add_line(" REAL(dp), DIMENSION(nkppctrl),INTENT(IN), OPTIONAL :: rcntrl_i "); |
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[2696] | 532 | kppi.add_line(" "); |
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| 533 | kppi.add_line(" INTEGER :: k ! loop variable "); |
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| 534 | kppi.add_line(" REAL(dp) :: dt "); |
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[3298] | 535 | kppi.add_line(" integer, dimension(20) :: istatus_u "); |
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| 536 | kppi.add_line(" integer :: ierr_u "); |
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| 537 | kppi.add_line(" integer :: istatf "); |
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| 538 | kppi.add_line(" integer :: vl_dim_lo "); |
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[2696] | 539 | kppi.add_line(" "); |
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| 540 | kppi.add_line(" "); |
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[3298] | 541 | kppi.add_line(" if (present (istatus) ) istatus = 0 "); |
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| 542 | kppi.add_line(" if (present (icntrl_i) ) icntrl = icntrl_i "); |
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| 543 | kppi.add_line(" if (present (rcntrl_i) ) rcntrl = rcntrl_i "); |
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[2696] | 544 | kppi.add_line(" "); |
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[3298] | 545 | kppi.add_line(" vl_glo = size(tempi,1) "); |
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| 546 | kppi.add_line(" "); |
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| 547 | kppi.add_line(" vl_dim_lo = VL_DIM "); |
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| 548 | kppi.add_line(" DO k=1,VL_glo,vl_dim_lo "); |
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[2696] | 549 | kppi.add_line(" is = k "); |
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[3298] | 550 | kppi.add_line(" ie = min(k+vl_dim_lo-1,VL_glo) "); |
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[2696] | 551 | kppi.add_line(" vl = ie-is+1 "); |
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| 552 | |
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| 553 | kppi.add_line(" "); |
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| 554 | if(kpp_switches.is_vector()) { |
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[3298] | 555 | kppi.add_line(" C(1:vl,:) = Conc(is:ie,:) "); |
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[2696] | 556 | } else { |
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[3298] | 557 | kppi.add_line(" C(:) = Conc(is,:) "); |
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[2696] | 558 | } |
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[3298] | 559 | |
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[2696] | 560 | kppi.add_line(" "); |
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| 561 | if(kpp_switches.is_vector()) { |
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[3298] | 562 | kppi.add_line(" temp(1:vl) = tempi(is:ie) "); |
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[2696] | 563 | } else { |
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[3298] | 564 | kppi.add_line(" temp = tempi(is) "); |
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[2696] | 565 | } |
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| 566 | kppi.add_line(" "); |
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| 567 | if(kpp_switches.is_vector()) { |
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[3298] | 568 | kppi.add_line(" qvap(1:vl) = qvapi(is:ie) "); |
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| 569 | } else { |
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| 570 | kppi.add_line(" qvap = qvapi(is) "); |
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| 571 | } |
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| 572 | kppi.add_line(" "); |
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| 573 | if(kpp_switches.is_vector()) { |
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| 574 | kppi.add_line(" fakt(1:vl) = fakti(is:ie) "); |
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| 575 | } else { |
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| 576 | kppi.add_line(" fakt = fakti(is) "); |
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| 577 | } |
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| 578 | |
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| 579 | kppi.add_line(" "); |
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| 580 | kppi.add_line(" CALL initialize "); |
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| 581 | |
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| 582 | kppi.add_line(" "); |
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| 583 | if(kpp_switches.is_vector()) { |
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[2696] | 584 | kppi.add_line(" phot(1:vl,:) = photo(is:ie,:) "); |
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| 585 | } else { |
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| 586 | kppi.add_line(" phot(:) = photo(is,:) "); |
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| 587 | } |
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| 588 | kppi.add_line(" "); |
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| 589 | kppi.add_line(" CALL update_rconst "); |
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| 590 | kppi.add_line(" "); |
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| 591 | kppi.add_line(" dt = time_step_len "); |
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| 592 | kppi.add_line(" "); |
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| 593 | kppi.add_line(" ! integrate from t=0 to t=dt "); |
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| 594 | kppi.add_line(" CALL integrate(0._dp, dt, icntrl, rcntrl, istatus_u = istatus_u, ierr_u=ierr_u)"); |
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| 595 | kppi.add_line(" "); |
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| 596 | kppi.add_line(" "); |
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| 597 | if(kpp_switches.is_vector()) { |
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[3298] | 598 | kppi.add_line(" Conc(is:ie,:) = C(1:VL,:) "); |
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[2696] | 599 | } else { |
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[3298] | 600 | kppi.add_line(" IF (PRESENT(l_debug) .AND. PRESENT(PE)) THEN "); |
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| 601 | kppi.add_line(" IF (l_debug) CALL error_output(Conc(is,:),ierr_u, PE) "); |
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| 602 | kppi.add_line(" ENDIF "); |
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| 603 | kppi.add_line(" "); |
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| 604 | kppi.add_line(" Conc(is,:) = C(:) "); |
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[2696] | 605 | } |
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| 606 | |
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| 607 | kppi.add_line(" "); |
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| 608 | kppi.add_line(" ! Return Diagnostic Information "); |
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| 609 | kppi.add_line(" "); |
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| 610 | if(kpp_switches.is_vector()) { |
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[3298] | 611 | kppi.add_line(" if(Present(ierrf)) ierrf(is:ie) = IERRV(1:VL) "); |
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| 612 | kppi.add_line(" if(Present(xNacc)) xNacc(is:ie) = Kacc(1:VL) "); |
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| 613 | kppi.add_line(" if(Present(xNrej)) xNrej(is:ie) = Krej(1:VL) "); |
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[2696] | 614 | } else { |
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[3298] | 615 | kppi.add_line(" if(Present(ierrf)) ierrf(is) = IERR_U "); |
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| 616 | kppi.add_line(" if(Present(xNacc)) xNacc(is) = istatus_u(4) "); |
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| 617 | kppi.add_line(" if(Present(xNrej)) xNrej(is) = istatus_u(5) "); |
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[2696] | 618 | } |
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| 619 | kppi.add_line(" "); |
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[3298] | 620 | kppi.add_line(" if (present (istatus) ) then "); |
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[2696] | 621 | if(kpp_switches.is_vector()) { |
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[3298] | 622 | kppi.add_line(" istatus(4) = istatus(4) + sum(Kacc(1:VL)) "); |
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| 623 | kppi.add_line(" istatus(5) = istatus(5) + sum(Krej(1:VL)) "); |
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[2696] | 624 | kppi.add_line(" istatus(3) = istatus(4) + istatus(5) "); |
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| 625 | kppi.add_line(" istatus(6) = istatus(6) + istatus_u(6) "); |
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| 626 | kppi.add_line(" istatus(7) = istatus(7) + istatus_u(7) "); |
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| 627 | } else { |
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| 628 | kppi.add_line(" istatus(1:8) = istatus(1:8) + istatus_u(1:8) "); |
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| 629 | } |
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[3298] | 630 | kppi.add_line(" end if "); |
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[2696] | 631 | kppi.add_line(" "); |
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| 632 | kppi.add_line(" END DO "); |
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| 633 | kppi.add_line(" "); |
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| 634 | |
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| 635 | kppi.add_line(" "); |
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| 636 | kppi.add_line("! Deallocate input arrays "); |
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| 637 | kppi.add_line(" "); |
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| 638 | for(iv=Vvar_list.begin();iv!=Vvar_list.end();iv++) { |
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[3298] | 639 | // kppi.add_line(" if (allocated("+ iv->name +")) deallocate("+ iv->name +" ) "); |
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[2696] | 640 | } |
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| 641 | |
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| 642 | kppi.add_line(" "); |
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| 643 | kppi.add_line(" data_loaded = .false. "); |
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| 644 | kppi.add_line(" "); |
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[3298] | 645 | kppi.add_line(" return "); |
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[3780] | 646 | kppi.add_line("END SUBROUTINE chem_gasphase_integrate "); |
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[2696] | 647 | |
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| 648 | // e5_subroutines.push_back(kppi); |
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| 649 | kpp_subroutines.push_back(kppi); |
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| 650 | |
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| 651 | return; |
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| 652 | } |
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| 653 | |
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