[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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[3458] | 12 | // |
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[2696] | 13 | //Former revisions: |
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| 14 | //----------------- |
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[4841] | 15 | // Update of copyright statements in templates/module_header (12.01.2021, forkel) |
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| 16 | // |
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[3833] | 17 | // alphabetic ordering of PUBLIC statments in templates/module_header (28.03.2019, forkel) |
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[3820] | 18 | // |
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[3833] | 19 | // renamed get_mechanismname to get_mechanism_name (26.03.2019, forkel) |
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[3820] | 20 | // |
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[3833] | 21 | // |
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[3799] | 22 | // Deleted $Id since document_changes does not work for C and C++ (15.03.2019, forkel) |
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| 23 | // |
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[3797] | 24 | // OpenMP version (15.03.2019, ketelsen) |
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| 25 | // |
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[3789] | 26 | // Added vector switch Kacc,Krej,IERRV, Commented add_line for istatf, (05.03.2019, forkel) |
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| 27 | // added ,pe after ierr_u, |
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| 28 | // |
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[3780] | 29 | // Added create_set_cs and cs_mech and get_mechanismname in module_header (05.03.2019, forkel) |
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| 30 | // |
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[3458] | 31 | // exclude kco_compress from handling by global_variables2vector (30.10.2018, forkel) |
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[2696] | 32 | // |
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[3458] | 33 | // Added automatic line with mechanism name (read mech_list) (25.09.2018, forkel) |
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[3298] | 34 | // |
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[3458] | 35 | // Added vl_glo = size(tempi,1) (20.09.2018, forkel) |
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[3298] | 36 | // |
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[3458] | 37 | // Removed creation of fill_ Subroutine and creation of calls thereof (18.09.2018, ketelsen) |
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[3298] | 38 | // |
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[3458] | 39 | // Fix in order not to loose the values of qvap and fakt (12.09.2018, forkel) |
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[3298] | 40 | // |
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[3458] | 41 | // Bug fixes: moved kppi.add_line(" CALL initialize after fakt = fakti(is) |
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| 42 | // Deleted definition of qvap,fakt in create_kpp_integrate again (03.09.2018, forkel) |
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[3298] | 43 | // |
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[3458] | 44 | // Changes for vector mode (edit_WAXPY, edit_FunTemplate, edit_JacTemplate, |
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| 45 | // some cleanup of comments, various changes in create_kpp_integrate) (July 2018, ketelsen) |
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[2768] | 46 | // |
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[3298] | 47 | // |
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[3458] | 48 | // Added qvap and fakt (June 2018, forkel) |
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| 49 | // --> Change in module_header: qvap, fakt added (June 2018, forkel) |
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| 50 | // |
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| 51 | // re-established original uppercase/lowercase (June 2018, forkel) |
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| 52 | // --> Change in module_header: reset case in Initialize, Integrate, and |
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| 53 | // Update_rconst (June 2018, forkel) |
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| 54 | // |
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| 55 | // Removed preprocessor directive __chem again (2017-09-14, forkel) |
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[2696] | 56 | // |
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[3458] | 57 | // Added phot (2017-09-14, forkel) |
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| 58 | // --> Change in module_header: Variables for photolyis added (2017-09-14, forkel) |
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[2696] | 59 | // |
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[3458] | 60 | // change of some output to lowercase with uppercase Fortran (2017, forkel) |
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[2696] | 61 | // |
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[3458] | 62 | // Intial version of KP4 adapted to PALM (Nov. 2016, ketelsen) |
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| 63 | // |
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[2696] | 64 | #include <stdio.h> |
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| 65 | // stdlib is necessary to define getenv: |
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| 66 | #include <stdlib.h> |
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| 67 | |
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| 68 | #include "create_kpp_module.h" |
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| 69 | #include "utils.h" |
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| 70 | |
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| 71 | void create_kpp_module::do_work (string s) { |
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| 72 | vector<fortran_file>::iterator it; |
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| 73 | vector<string>::iterator ic; |
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| 74 | vector<Vvar>::iterator iv; |
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| 75 | |
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| 76 | expand_decomp exp_de; |
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| 77 | |
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| 78 | prefix = s; |
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| 79 | module_name = prefix; |
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| 80 | |
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| 81 | cout << "Create " << module_name << " from kpp Fortran sources" <<endl; |
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| 82 | cout << "Vector mode " << kpp_switches.is_vector() <<endl; |
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[3298] | 83 | cout << "De_indexing " << kpp_switches.de_indexing() <<endl; |
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[2696] | 84 | |
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| 85 | create_fortran_files_and_read(); |
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| 86 | |
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| 87 | // Generate first module lines |
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| 88 | |
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[2768] | 89 | string first_line="MODULE " + module_name; |
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[3298] | 90 | mz_kpp.add_line(first_line); |
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| 91 | mz_kpp.add_line(" "); |
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[2696] | 92 | |
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| 93 | // string e5_line = first_line +"_e5"; |
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| 94 | // e5_kpp.add_line(e5_line); |
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| 95 | // e5_line = " USE " + module_name; |
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| 96 | // e5_kpp.add_line(e5_line); |
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| 97 | // e5_kpp.add_line(" "); |
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| 98 | |
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| 99 | // edit include files |
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| 100 | |
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| 101 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 102 | it->edit_inc(header_variables); |
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| 103 | |
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| 104 | // Create variable Species list and vector variable list |
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| 105 | |
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| 106 | if(it->get_name() == module_name + "_Parameters") { |
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| 107 | it->create_species_list(species_list); |
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| 108 | } |
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| 109 | if(it->get_name() == module_name + "_Global") { |
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| 110 | it->vector_variable_list(Vvar_list); |
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| 111 | } |
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| 112 | } |
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| 113 | |
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| 114 | // Prepare expansion of decomposition subroutine |
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| 115 | |
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| 116 | if(kpp_switches.de_indexing () > 0 ) { |
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| 117 | exp_de.create_sparse_info (kpp_includes, module_name); |
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| 118 | } |
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| 119 | |
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| 120 | // edit FORTRAN files |
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| 121 | |
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| 122 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 123 | it->edit_fortran (); |
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| 124 | } |
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| 125 | |
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| 126 | // Generate a list of single subroutines from kpp-files |
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| 127 | // kpp files are modules containing several subroutines |
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| 128 | |
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| 129 | copy_files_to_subroutines (); |
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| 130 | |
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| 131 | // All header_variables to include list |
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| 132 | |
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| 133 | kpp_includes.push_back(header_variables); |
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| 134 | |
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| 135 | // Create decomposition subroutine |
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| 136 | if(kpp_switches.de_indexing () > 0 ) { |
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| 137 | exp_de.create_routine (kpp_subroutines); |
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| 138 | } |
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| 139 | |
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| 140 | if(kpp_switches.is_vector()) { |
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| 141 | |
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[3298] | 142 | cout << "##### Hier kpp_switches.is_vector " <<endl; |
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[2696] | 143 | // Change header section |
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| 144 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 145 | it->edit_inc_vec(global_variable_list); |
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| 146 | } |
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| 147 | |
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[3458] | 148 | // Change global variables to vector (except for kp4_compress, which has already the right form) |
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[2696] | 149 | |
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| 150 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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[3458] | 151 | if(it->get_name() != "kco_compress" ) { |
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| 152 | it->global_variables2vector (global_variable_list); |
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| 153 | } |
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[2696] | 154 | } |
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| 155 | |
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| 156 | // Edit individual subroutines |
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| 157 | |
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| 158 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 159 | if(it->get_name() == "KppDecomp") { |
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| 160 | it->edit_KppDecomp(); |
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| 161 | } |
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| 162 | if(it->get_name() == "KppSolve") { |
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| 163 | it->edit_KppSolve(); |
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| 164 | } |
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| 165 | if(it->get_name() == "Jac_SP" ) { |
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| 166 | it->edit_Jac_SP(); |
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| 167 | } |
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| 168 | if(it->get_name() == "Fun" ) { |
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| 169 | it->edit_Fun(); |
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| 170 | } |
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[3298] | 171 | if(it->get_name() == "WAXPY" ) { |
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| 172 | it->edit_WAXPY(); |
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| 173 | } |
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| 174 | if(it->get_name() == "FunTemplate" ) { |
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| 175 | it->edit_FunTemplate(); |
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| 176 | } |
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| 177 | if(it->get_name() == "JacTemplate" ) { |
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| 178 | it->edit_JacTemplate(); |
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| 179 | } |
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[2696] | 180 | } |
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| 181 | } |
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| 182 | |
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| 183 | // Update_RCONST has to be changed also in scalar mode |
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| 184 | |
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| 185 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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[3298] | 186 | if(it->get_name() == "Update_RCONST") { |
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[2696] | 187 | it->edit_Update_RCONST(Vvar_list); |
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| 188 | } |
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[3298] | 189 | |
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| 190 | if(it->get_name() == "Initialize") { |
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| 191 | it->edit_Initialize(Vvar_list); |
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| 192 | } |
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| 193 | |
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[2696] | 194 | } |
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| 195 | |
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| 196 | // Add Solver template to subroutine list |
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| 197 | if(kpp_switches.is_vector()) { |
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| 198 | add_solver_to_subroutine_list (); |
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| 199 | } |
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| 200 | |
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| 201 | // The module header will be taken from ../templates/module_header. |
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| 202 | // Please edit if header has to be changed. |
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| 203 | |
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| 204 | generate_module_header(); |
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| 205 | |
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[3799] | 206 | // Create subroutine to communicate mechanism name to other modules |
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[3780] | 207 | create_set_cs(); |
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| 208 | |
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[2696] | 209 | // Create kpp_integrate subroutine (chem_gasphase_integrate) for skalar and vector mode |
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| 210 | |
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| 211 | create_kpp_integrate(); |
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| 212 | // Copy include files |
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| 213 | |
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| 214 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 215 | it->copy_to_MZ_KPP(mz_kpp); |
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| 216 | } |
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| 217 | |
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| 218 | mz_kpp.add_line(" "); |
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| 219 | mz_kpp.add_line("! Interface Block "); |
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| 220 | mz_kpp.add_line(" "); |
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| 221 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 222 | string buf; |
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| 223 | |
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| 224 | string prefix = " "; |
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| 225 | for(ic=interface_ignore.begin();ic!=interface_ignore.end();ic++) { |
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| 226 | if(it->get_name() == *ic) { |
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| 227 | prefix = "!interface not working "; |
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| 228 | break; |
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| 229 | } |
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| 230 | } |
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| 231 | |
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[3298] | 232 | buf = prefix + "interface " + it->get_name() ; |
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[2696] | 233 | mz_kpp.add_line(buf); |
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[3298] | 234 | buf = prefix + " module procedure " + it->get_name(); |
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[2696] | 235 | mz_kpp.add_line(buf); |
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[3298] | 236 | buf = prefix + "end interface " + it->get_name(); |
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[2696] | 237 | mz_kpp.add_line(buf); |
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| 238 | mz_kpp.add_line(" "); |
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| 239 | } |
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| 240 | |
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| 241 | mz_kpp.add_line(" "); |
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| 242 | |
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[3797] | 243 | // Declare variables THREADPRIVATE for OpenMP version |
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[2696] | 244 | |
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[3797] | 245 | mz_kpp.add_line(" ! OpenMP directives generated by kp4 "); |
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| 246 | mz_kpp.add_line(" "); |
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| 247 | mz_kpp.add_line(" !$OMP THREADPRIVATE (vl,vl_glo,is,ie,data_loaded)"); |
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| 248 | mz_kpp.add_line(" !$OMP THREADPRIVATE (c,var,fix,rconst,time,temp,stepmin,cfactor)"); |
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| 249 | mz_kpp.add_line(" !$OMP THREADPRIVATE (qvap,fakt,cs_mech,a,icntrl,rcntrl)"); |
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| 250 | mz_kpp.add_line(" "); |
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| 251 | if(kpp_switches.is_vector()) { |
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| 252 | mz_kpp.add_line(" ! Vector mode Only "); |
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| 253 | mz_kpp.add_line(" "); |
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| 254 | mz_kpp.add_line(" !$OMP THREADPRIVATE (kacc,krej,ierrv)"); |
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| 255 | mz_kpp.add_line(" !$OMP THREADPRIVATE (kpoints,kpoints_SAVE,index_org,done_check,index_step,cell_done)"); |
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| 256 | mz_kpp.add_line(" !$OMP THREADPRIVATE (f_done,kacc_done,krej_done,ierr_done,compress_done)"); |
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| 257 | mz_kpp.add_line(" "); |
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| 258 | } |
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| 259 | |
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| 260 | |
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[2696] | 261 | // Copy FORTRAN subroutines to mz_kpp |
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| 262 | |
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| 263 | mz_kpp.add_line(" CONTAINS"); |
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| 264 | |
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| 265 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
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| 266 | mz_kpp.add_line(" "); |
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| 267 | it->copy_to_MZ_KPP(mz_kpp); |
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| 268 | } |
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| 269 | |
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| 270 | // Finish module |
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| 271 | |
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[3298] | 272 | string last_line="end module " + module_name; |
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| 273 | mz_kpp.add_line(""); |
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| 274 | mz_kpp.add_line(last_line); |
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[2696] | 275 | |
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| 276 | // Write the complete module to file: mz_kpp.f |
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| 277 | |
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| 278 | write_module_file(); |
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| 279 | |
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| 280 | return; |
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| 281 | } |
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| 282 | |
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| 283 | void create_kpp_module::create_fortran_files_and_read() { |
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| 284 | |
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| 285 | string name; |
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| 286 | ifstream in,in_c,in_b,in_i; |
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| 287 | fortran_file f_file; |
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| 288 | vector<fortran_file>::iterator it; |
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| 289 | |
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| 290 | // Open file with list of FORTRAN routines |
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| 291 | |
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| 292 | in.open("file_list"); |
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| 293 | if( !in ) { |
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| 294 | cout << "cannot open " << endl; my_abort("file_list"); |
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| 295 | } |
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| 296 | |
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| 297 | // Create kpp_fortran routines |
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| 298 | while ( 1 ) { |
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| 299 | in >> name; |
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| 300 | if( in.eof() ) break; |
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| 301 | if( in.bad() ) my_abort("ERROR_READ_1"); |
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| 302 | f_file.set_name(name); |
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| 303 | kpp_files.push_back(f_file); |
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| 304 | } |
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| 305 | in.close(); |
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| 306 | |
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| 307 | // Read FORTRAN code |
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| 308 | |
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| 309 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 310 | it->read(); |
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| 311 | } |
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| 312 | |
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| 313 | // Open file with list of include files |
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| 314 | |
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| 315 | in_c.open("include_list"); |
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| 316 | if( !in_c ) { |
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| 317 | cout << "cannot open " << endl; my_abort("include_list"); |
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| 318 | } |
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| 319 | |
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| 320 | // Create kpp_includes vector |
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| 321 | while ( 1 ) { |
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| 322 | in_c >> name; |
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| 323 | if( in_c.eof() ) break; |
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| 324 | if( in_c.bad() ) my_abort("ERROR_READ_3"); |
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| 325 | f_file.set_name(name); |
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| 326 | kpp_includes.push_back(f_file); |
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| 327 | } |
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| 328 | in_c.close(); |
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| 329 | |
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| 330 | // Read include files |
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| 331 | |
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| 332 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
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| 333 | it->read(); |
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| 334 | } |
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| 335 | |
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| 336 | // Read Ignore list |
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| 337 | |
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| 338 | in_i.open("interface_ignore_list"); |
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| 339 | if( !in_i ) { |
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| 340 | cout << "cannot open " << endl; my_abort("include_list"); |
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| 341 | } |
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| 342 | |
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| 343 | // Create kpp_includes vector |
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| 344 | while ( 1 ) { |
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| 345 | in_i >> name; |
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| 346 | if( in_i.eof() ) break; |
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| 347 | if( in_i.bad() ) my_abort("ERROR_READ_4"); |
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| 348 | interface_ignore.push_back(name); |
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| 349 | } |
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| 350 | in_c.close(); |
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| 351 | |
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| 352 | } |
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| 353 | |
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| 354 | void create_kpp_module::copy_files_to_subroutines () { |
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| 355 | string name; |
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| 356 | ifstream in; |
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| 357 | fortran_file s_file; |
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| 358 | vector<fortran_file>::iterator it; |
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| 359 | |
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| 360 | // Open file with list of FORTRAN routines |
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| 361 | |
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| 362 | in.open("subroutine_list"); |
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| 363 | if( !in ) { |
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| 364 | cout << "cannot open " << endl; my_abort("subroutine_list"); |
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| 365 | } |
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| 366 | |
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| 367 | // Create vector kpp_subroutines |
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| 368 | |
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| 369 | while ( 1 ) { |
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| 370 | in >> name; |
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| 371 | if( in.eof() ) break; |
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| 372 | if( in.bad() ) my_abort("ERROR_READ_S1"); |
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| 373 | s_file.set_name(name); |
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| 374 | kpp_subroutines.push_back(s_file); |
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| 375 | } |
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| 376 | in.close(); |
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| 377 | |
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| 378 | header_variables.add_line(" "); |
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| 379 | header_variables.add_line("! variable definations from individual module headers "); |
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| 380 | header_variables.add_line(" "); |
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| 381 | |
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| 382 | // Loop over all FORTRAN Files |
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| 383 | |
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| 384 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
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| 385 | it->copy_to_subroutine_vector(kpp_subroutines, header_variables); |
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| 386 | } |
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| 387 | } |
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| 388 | |
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| 389 | void create_kpp_module::add_solver_to_subroutine_list () { |
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| 390 | fortran_file s_file; |
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| 391 | |
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| 392 | string solver_name = getenv("KPP_SOLVER"); |
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| 393 | cout << "KPP_SOLVER " <<solver_name <<endl; |
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| 394 | |
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| 395 | s_file.set_name(solver_name); |
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| 396 | s_file.read(); |
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| 397 | kpp_subroutines.push_back(s_file); |
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| 398 | |
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| 399 | return; |
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| 400 | } |
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| 401 | |
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| 402 | void create_kpp_module::generate_module_header() { |
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| 403 | |
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| 404 | string buf; |
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| 405 | ifstream in; |
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| 406 | ifstream in_e5; |
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| 407 | program_line line; |
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| 408 | vector<fortran_file>::iterator it; |
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| 409 | char distr[2]; |
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| 410 | string diline; |
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| 411 | |
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[3298] | 412 | // Read mechanism from mech_list |
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| 413 | |
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| 414 | in.open("mech_list"); |
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| 415 | if( !in ) { |
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| 416 | cout << "cannot open " << endl; my_abort("mech_list"); |
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| 417 | } |
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| 418 | |
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| 419 | while ( 1 ) { |
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| 420 | getline (in, buf); |
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| 421 | if( in.eof() ) break; |
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| 422 | if( in.bad() ) my_abort("ERROR_READ_4"); |
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| 423 | line.set_line(buf); |
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| 424 | mz_kpp.add_line(line); |
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| 425 | } |
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| 426 | in.close(); |
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| 427 | |
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| 428 | |
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[2696] | 429 | // Read Modul Header from file $MZ_KPP_HOME/templates/module_header |
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| 430 | |
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| 431 | in.open("module_header"); |
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| 432 | if( !in ) { |
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| 433 | cout << "cannot open " << endl; my_abort("module_header"); |
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| 434 | } |
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| 435 | |
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| 436 | while ( 1 ) { |
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| 437 | getline (in, buf); |
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| 438 | if( in.eof() ) break; |
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| 439 | if( in.bad() ) my_abort("ERROR_READ_4"); |
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| 440 | line.set_line(buf); |
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| 441 | mz_kpp.add_line(line); |
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| 442 | } |
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| 443 | mz_kpp.add_line(" "); |
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| 444 | mz_kpp.add_line("! Variables used for vector mode "); |
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| 445 | mz_kpp.add_line(" "); |
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| 446 | if(kpp_switches.is_vector()) { |
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[3298] | 447 | mz_kpp.add_line(" logical,parameter :: L_VECTOR = .TRUE. "); |
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[2696] | 448 | } else { |
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[3298] | 449 | mz_kpp.add_line(" logical,parameter :: L_VECTOR = .FALSE. "); |
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[2696] | 450 | } |
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| 451 | // mz_pj_20070531+ |
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| 452 | sprintf(distr,"%i",kpp_switches.de_indexing()); |
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| 453 | diline = distr ; |
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[3298] | 454 | mz_kpp.add_line(" integer,parameter :: I_LU_DI = " + diline ); |
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[2696] | 455 | // mz_pj_20070531- |
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| 456 | |
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[3298] | 457 | mz_kpp.add_line(" integer,parameter :: VL_DIM = " |
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| 458 | + kpp_switches.get_vector_length() ); |
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| 459 | mz_kpp.add_line(" integer :: vl "); |
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[2696] | 460 | mz_kpp.add_line(" "); |
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[3298] | 461 | mz_kpp.add_line(" integer :: VL_glo "); |
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| 462 | mz_kpp.add_line(" integer :: is,ie "); |
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[2696] | 463 | mz_kpp.add_line(" "); |
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[3298] | 464 | mz_kpp.add_line(" "); |
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[3789] | 465 | if(kpp_switches.is_vector()) { |
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| 466 | mz_kpp.add_line(" integer, dimension(VL_dim) :: Kacc,Krej "); |
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| 467 | mz_kpp.add_line(" integer, dimension(VL_dim) :: IERRV "); |
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| 468 | } |
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[3298] | 469 | mz_kpp.add_line(" logical :: data_loaded = .false. "); |
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[3797] | 470 | if(kpp_switches.is_vector()) { |
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| 471 | mz_kpp.add_line(" REAL(dp),POINTER,DIMENSION(:,:),CONTIGUOUS :: var "); |
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| 472 | } else { |
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| 473 | mz_kpp.add_line(" REAL(dp),POINTER,DIMENSION(:),CONTIGUOUS :: var "); |
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| 474 | } |
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[2696] | 475 | in.close(); |
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| 476 | |
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| 477 | return; |
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| 478 | } |
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| 479 | |
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| 480 | void create_kpp_module::write_module_file() { |
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| 481 | ofstream out; |
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| 482 | ofstream out_e5; |
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| 483 | |
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| 484 | string out_file = "kk_kpp.f90"; |
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| 485 | out.open(out_file.c_str(), ios::out); |
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| 486 | if( !out ) { |
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| 487 | cout << "cannot open " << endl; my_abort(out_file); |
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| 488 | } |
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| 489 | |
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| 490 | mz_kpp.write_file (out); |
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| 491 | |
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| 492 | out.close(); |
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| 493 | |
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| 494 | |
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| 495 | return; |
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| 496 | } |
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| 497 | |
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[3780] | 498 | void create_kpp_module::create_set_cs() { |
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| 499 | fortran_file kppi; |
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| 500 | vector<Vvar>::iterator iv; |
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| 501 | string xline; |
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| 502 | |
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| 503 | string buf; |
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| 504 | ifstream in; |
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| 505 | program_line line; |
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| 506 | |
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[3820] | 507 | kppi.set_name("get_mechanism_name"); |
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| 508 | kppi.add_line("SUBROUTINE get_mechanism_name "); |
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[3780] | 509 | kppi.add_line(" "); |
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| 510 | kppi.add_line(" IMPLICIT NONE "); |
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| 511 | // Read mechanism from set_cm |
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| 512 | // Tis got an own own subroutine to aviod being called at each timestep |
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| 513 | |
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| 514 | in.open("set_cm"); |
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| 515 | if( !in ) { |
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| 516 | cout << "cannot open " << endl; my_abort("set_cm"); |
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| 517 | } |
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| 518 | |
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| 519 | while ( 1 ) { |
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| 520 | getline (in, buf); |
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| 521 | if( in.eof() ) break; |
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| 522 | if( in.bad() ) my_abort("ERROR_READ_4"); |
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| 523 | line.set_line(buf); |
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| 524 | kppi.add_line(line); |
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| 525 | } |
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| 526 | in.close(); |
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| 527 | |
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| 528 | kppi.add_line(" "); |
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| 529 | kppi.add_line(" return "); |
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[3820] | 530 | kppi.add_line("END SUBROUTINE get_mechanism_name "); |
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[3780] | 531 | kppi.add_line(" "); |
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| 532 | kpp_subroutines.push_back(kppi); |
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| 533 | |
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| 534 | return; |
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| 535 | } |
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| 536 | |
---|
| 537 | |
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[2696] | 538 | void create_kpp_module::create_kpp_integrate() { |
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| 539 | fortran_file kppi; |
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| 540 | vector<Vvar>::iterator iv; |
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[3780] | 541 | string xline; |
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[2696] | 542 | |
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[3780] | 543 | |
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[2696] | 544 | kppi.set_name("chem_gasphase_integrate"); |
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| 545 | |
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[3298] | 546 | 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] | 547 | kppi.add_line(" "); |
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| 548 | kppi.add_line(" IMPLICIT NONE "); |
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| 549 | kppi.add_line(" "); |
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| 550 | |
---|
[3298] | 551 | kppi.add_line(" REAL(dp), INTENT(IN) :: time_step_len "); |
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[2696] | 552 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(INOUT) :: conc "); |
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[3298] | 553 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(IN) :: photo "); |
---|
| 554 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: tempi "); |
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| 555 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: qvapi "); |
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| 556 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: fakti "); |
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| 557 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: ierrf(:) "); |
---|
| 558 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xNacc(:) "); |
---|
| 559 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xNrej(:) "); |
---|
| 560 | kppi.add_line(" INTEGER, INTENT(INOUT), OPTIONAL :: istatus(:) "); |
---|
| 561 | kppi.add_line(" INTEGER, INTENT(IN), OPTIONAL :: PE "); |
---|
| 562 | kppi.add_line(" LOGICAL, INTENT(IN), OPTIONAL :: l_debug "); |
---|
| 563 | kppi.add_line(" INTEGER, DIMENSION(nkppctrl),INTENT(IN), OPTIONAL :: icntrl_i "); |
---|
| 564 | kppi.add_line(" REAL(dp), DIMENSION(nkppctrl),INTENT(IN), OPTIONAL :: rcntrl_i "); |
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[2696] | 565 | kppi.add_line(" "); |
---|
| 566 | kppi.add_line(" INTEGER :: k ! loop variable "); |
---|
| 567 | kppi.add_line(" REAL(dp) :: dt "); |
---|
[3298] | 568 | kppi.add_line(" integer, dimension(20) :: istatus_u "); |
---|
| 569 | kppi.add_line(" integer :: ierr_u "); |
---|
[3789] | 570 | // kppi.add_line(" integer :: istatf "); |
---|
[3298] | 571 | kppi.add_line(" integer :: vl_dim_lo "); |
---|
[2696] | 572 | kppi.add_line(" "); |
---|
| 573 | kppi.add_line(" "); |
---|
[3298] | 574 | kppi.add_line(" if (present (istatus) ) istatus = 0 "); |
---|
| 575 | kppi.add_line(" if (present (icntrl_i) ) icntrl = icntrl_i "); |
---|
| 576 | kppi.add_line(" if (present (rcntrl_i) ) rcntrl = rcntrl_i "); |
---|
[2696] | 577 | kppi.add_line(" "); |
---|
[3797] | 578 | if(kpp_switches.is_vector()) { |
---|
| 579 | kppi.add_line(" var => c(:,1:nvar) "); |
---|
| 580 | } else { |
---|
| 581 | kppi.add_line(" var => c(1:nvar) "); |
---|
| 582 | } |
---|
| 583 | kppi.add_line(" "); |
---|
[3298] | 584 | kppi.add_line(" vl_glo = size(tempi,1) "); |
---|
| 585 | kppi.add_line(" "); |
---|
| 586 | kppi.add_line(" vl_dim_lo = VL_DIM "); |
---|
| 587 | kppi.add_line(" DO k=1,VL_glo,vl_dim_lo "); |
---|
[2696] | 588 | kppi.add_line(" is = k "); |
---|
[3298] | 589 | kppi.add_line(" ie = min(k+vl_dim_lo-1,VL_glo) "); |
---|
[2696] | 590 | kppi.add_line(" vl = ie-is+1 "); |
---|
| 591 | |
---|
| 592 | kppi.add_line(" "); |
---|
| 593 | if(kpp_switches.is_vector()) { |
---|
[3298] | 594 | kppi.add_line(" C(1:vl,:) = Conc(is:ie,:) "); |
---|
[2696] | 595 | } else { |
---|
[3298] | 596 | kppi.add_line(" C(:) = Conc(is,:) "); |
---|
[2696] | 597 | } |
---|
[3298] | 598 | |
---|
[2696] | 599 | kppi.add_line(" "); |
---|
| 600 | if(kpp_switches.is_vector()) { |
---|
[3298] | 601 | kppi.add_line(" temp(1:vl) = tempi(is:ie) "); |
---|
[2696] | 602 | } else { |
---|
[3298] | 603 | kppi.add_line(" temp = tempi(is) "); |
---|
[2696] | 604 | } |
---|
| 605 | kppi.add_line(" "); |
---|
| 606 | if(kpp_switches.is_vector()) { |
---|
[3298] | 607 | kppi.add_line(" qvap(1:vl) = qvapi(is:ie) "); |
---|
| 608 | } else { |
---|
| 609 | kppi.add_line(" qvap = qvapi(is) "); |
---|
| 610 | } |
---|
| 611 | kppi.add_line(" "); |
---|
| 612 | if(kpp_switches.is_vector()) { |
---|
| 613 | kppi.add_line(" fakt(1:vl) = fakti(is:ie) "); |
---|
| 614 | } else { |
---|
| 615 | kppi.add_line(" fakt = fakti(is) "); |
---|
| 616 | } |
---|
| 617 | |
---|
| 618 | kppi.add_line(" "); |
---|
| 619 | kppi.add_line(" CALL initialize "); |
---|
| 620 | |
---|
| 621 | kppi.add_line(" "); |
---|
| 622 | if(kpp_switches.is_vector()) { |
---|
[2696] | 623 | kppi.add_line(" phot(1:vl,:) = photo(is:ie,:) "); |
---|
| 624 | } else { |
---|
| 625 | kppi.add_line(" phot(:) = photo(is,:) "); |
---|
| 626 | } |
---|
| 627 | kppi.add_line(" "); |
---|
| 628 | kppi.add_line(" CALL update_rconst "); |
---|
| 629 | kppi.add_line(" "); |
---|
| 630 | kppi.add_line(" dt = time_step_len "); |
---|
| 631 | kppi.add_line(" "); |
---|
| 632 | kppi.add_line(" ! integrate from t=0 to t=dt "); |
---|
| 633 | kppi.add_line(" CALL integrate(0._dp, dt, icntrl, rcntrl, istatus_u = istatus_u, ierr_u=ierr_u)"); |
---|
| 634 | kppi.add_line(" "); |
---|
| 635 | kppi.add_line(" "); |
---|
| 636 | if(kpp_switches.is_vector()) { |
---|
[3298] | 637 | kppi.add_line(" Conc(is:ie,:) = C(1:VL,:) "); |
---|
[2696] | 638 | } else { |
---|
[3298] | 639 | kppi.add_line(" IF (PRESENT(l_debug) .AND. PRESENT(PE)) THEN "); |
---|
[3789] | 640 | kppi.add_line(" IF (l_debug) CALL error_output(Conc(is,:),ierr_u,pe) "); |
---|
[3298] | 641 | kppi.add_line(" ENDIF "); |
---|
| 642 | kppi.add_line(" "); |
---|
| 643 | kppi.add_line(" Conc(is,:) = C(:) "); |
---|
[2696] | 644 | } |
---|
| 645 | |
---|
| 646 | kppi.add_line(" "); |
---|
| 647 | kppi.add_line(" ! Return Diagnostic Information "); |
---|
| 648 | kppi.add_line(" "); |
---|
| 649 | if(kpp_switches.is_vector()) { |
---|
[3298] | 650 | kppi.add_line(" if(Present(ierrf)) ierrf(is:ie) = IERRV(1:VL) "); |
---|
| 651 | kppi.add_line(" if(Present(xNacc)) xNacc(is:ie) = Kacc(1:VL) "); |
---|
| 652 | kppi.add_line(" if(Present(xNrej)) xNrej(is:ie) = Krej(1:VL) "); |
---|
[2696] | 653 | } else { |
---|
[3298] | 654 | kppi.add_line(" if(Present(ierrf)) ierrf(is) = IERR_U "); |
---|
| 655 | kppi.add_line(" if(Present(xNacc)) xNacc(is) = istatus_u(4) "); |
---|
| 656 | kppi.add_line(" if(Present(xNrej)) xNrej(is) = istatus_u(5) "); |
---|
[2696] | 657 | } |
---|
| 658 | kppi.add_line(" "); |
---|
[3298] | 659 | kppi.add_line(" if (present (istatus) ) then "); |
---|
[2696] | 660 | if(kpp_switches.is_vector()) { |
---|
[3298] | 661 | kppi.add_line(" istatus(4) = istatus(4) + sum(Kacc(1:VL)) "); |
---|
| 662 | kppi.add_line(" istatus(5) = istatus(5) + sum(Krej(1:VL)) "); |
---|
[2696] | 663 | kppi.add_line(" istatus(3) = istatus(4) + istatus(5) "); |
---|
| 664 | kppi.add_line(" istatus(6) = istatus(6) + istatus_u(6) "); |
---|
| 665 | kppi.add_line(" istatus(7) = istatus(7) + istatus_u(7) "); |
---|
| 666 | } else { |
---|
| 667 | kppi.add_line(" istatus(1:8) = istatus(1:8) + istatus_u(1:8) "); |
---|
| 668 | } |
---|
[3298] | 669 | kppi.add_line(" end if "); |
---|
[2696] | 670 | kppi.add_line(" "); |
---|
| 671 | kppi.add_line(" END DO "); |
---|
| 672 | kppi.add_line(" "); |
---|
| 673 | |
---|
| 674 | kppi.add_line(" "); |
---|
| 675 | kppi.add_line("! Deallocate input arrays "); |
---|
| 676 | kppi.add_line(" "); |
---|
| 677 | for(iv=Vvar_list.begin();iv!=Vvar_list.end();iv++) { |
---|
[3298] | 678 | // kppi.add_line(" if (allocated("+ iv->name +")) deallocate("+ iv->name +" ) "); |
---|
[2696] | 679 | } |
---|
| 680 | |
---|
| 681 | kppi.add_line(" "); |
---|
| 682 | kppi.add_line(" data_loaded = .false. "); |
---|
| 683 | kppi.add_line(" "); |
---|
[3298] | 684 | kppi.add_line(" return "); |
---|
[3780] | 685 | kppi.add_line("END SUBROUTINE chem_gasphase_integrate "); |
---|
[2696] | 686 | |
---|
| 687 | // e5_subroutines.push_back(kppi); |
---|
| 688 | kpp_subroutines.push_back(kppi); |
---|
| 689 | |
---|
| 690 | return; |
---|
| 691 | } |
---|
| 692 | |
---|