├── .gitignore ├── Dockerfile ├── LICENSE.md ├── README.md ├── environment.yml ├── epsilon ├── eAgFerreiraf.edb ├── eAgPalikSTDf.edb ├── eAlRakicSTDf.edb ├── eAuJCSTDf.edb ├── eAuPalikSTDf.edb ├── eAuWoolam.edb ├── eBK7HikariSTDf.edb ├── eBK7HoyaSTDf.edb ├── eBK7SchottSTDf.edb ├── eBK7SumitaSTDf.edb ├── eCoSTDf.edb ├── eCoWoolam.edb ├── eCrSopraSTDf.edb ├── eCrWoolam.edb ├── eCuPalikSTDf.edb ├── eFeArgonneSTDf.edb ├── eH2OHaleSTDf.edb ├── eHexaneSTDf.edb ├── eNixxPalikSTDf.edb ├── eSF10SchottSTDf.edb ├── eSiO2PalikSTDf.edb ├── eSiPalikSTDf.edb ├── eSilkSTDf.edb ├── eTiO2PalikSTDf.edb ├── eTiWoolam.edb ├── eVacuum.edb ├── eZero.edb └── eagJCf.edb ├── examples ├── AuAg_dimer.ipynb ├── Au_dimer_scattering.ipynb ├── Chirality.ipynb └── Stockman Silver Nanolens.ipynb ├── images └── array.png ├── notebook_config.py ├── py_gmm ├── __init__.py ├── basicsubs.f90 ├── datatypes.f90 ├── f2py.sh ├── gmm_f2py_module.f90 ├── gmmsubs.f90 ├── kinds.f90 ├── linear_solver.f90 ├── local_field.f90 ├── mat.py ├── operators.f90 ├── shared_data.f90 ├── sing_part.f90 └── vec_trans.f90 └── setup.py /.gitignore: -------------------------------------------------------------------------------- 1 | *.mod 2 | *.o 3 | *.so 4 | py_gmm/tmp/** 5 | py_gmm/__pycache__/** 6 | *.pyf 7 | .ipynb_checkpoints/** 8 | examples/.ipynb_checkpoints/** 9 | -------------------------------------------------------------------------------- /Dockerfile: -------------------------------------------------------------------------------- 1 | FROM jupyter/datascience-notebook:ubuntu-20.04 2 | 3 | ADD . $HOME/notebooks 4 | 5 | USER root 6 | 7 | RUN apt update 8 | 9 | 10 | RUN apt -y install liblapack-dev liblapack3 libopenblas-base libopenblas-dev gfortran 11 | RUN ln -s /opt/OpenBLAS/lib/libopenblas.so /usr/lib/libopenblas.so 12 | 13 | RUN chown -R $NB_USER:users $HOME/notebooks 14 | 15 | USER $NB_USER 16 | 17 | # WORKDIR $HOME/notebooks 18 | 19 | # RUN conda env create -n binder python=3.6 20 | # RUN pip install plotly 21 | 22 | # ENV PATH /home/main/anaconda2/envs/binder/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin 23 | 24 | WORKDIR $HOME/notebooks/py_gmm 25 | 26 | # RUN /bin/bash -c "source activate binder && sh f2py.sh" 27 | RUN /bin/bash -c "sh f2py.sh" 28 | 29 | WORKDIR $HOME/notebooks 30 | 31 | # RUN /bin/bash -c "source activate binder && ipython kernelspec install-self --user" 32 | -------------------------------------------------------------------------------- /LICENSE.md: -------------------------------------------------------------------------------- 1 | GNU GENERAL PUBLIC LICENSE 2 | Version 3, 29 June 2007 3 | 4 | Copyright (C) 2007 Free Software Foundation, Inc. 5 | Everyone is permitted to copy and distribute verbatim copies 6 | of this license document, but changing it is not allowed. 7 | 8 | Preamble 9 | 10 | The GNU General Public License is a free, copyleft license for 11 | software and other kinds of works. 12 | 13 | The licenses for most software and other practical works are designed 14 | to take away your freedom to share and change the works. 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EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT 593 | HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY 594 | OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, 595 | THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR 596 | PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM 597 | IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF 598 | ALL NECESSARY SERVICING, REPAIR OR CORRECTION. 599 | 600 | 16. Limitation of Liability. 601 | 602 | IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING 603 | WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS 604 | THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY 605 | GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE 606 | USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF 607 | DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD 608 | PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS), 609 | EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF 610 | SUCH DAMAGES. 611 | 612 | 17. Interpretation of Sections 15 and 16. 613 | 614 | If the disclaimer of warranty and limitation of liability provided 615 | above cannot be given local legal effect according to their terms, 616 | reviewing courts shall apply local law that most closely approximates 617 | an absolute waiver of all civil liability in connection with the 618 | Program, unless a warranty or assumption of liability accompanies a 619 | copy of the Program in return for a fee. 620 | 621 | END OF TERMS AND CONDITIONS 622 | 623 | How to Apply These Terms to Your New Programs 624 | 625 | If you develop a new program, and you want it to be of the greatest 626 | possible use to the public, the best way to achieve this is to make it 627 | free software which everyone can redistribute and change under these terms. 628 | 629 | To do so, attach the following notices to the program. It is safest 630 | to attach them to the start of each source file to most effectively 631 | state the exclusion of warranty; and each file should have at least 632 | the "copyright" line and a pointer to where the full notice is found. 633 | 634 | {one line to give the program's name and a brief idea of what it does.} 635 | Copyright (C) {year} {name of author} 636 | 637 | This program is free software: you can redistribute it and/or modify 638 | it under the terms of the GNU General Public License as published by 639 | the Free Software Foundation, either version 3 of the License, or 640 | (at your option) any later version. 641 | 642 | This program is distributed in the hope that it will be useful, 643 | but WITHOUT ANY WARRANTY; without even the implied warranty of 644 | MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 645 | GNU General Public License for more details. 646 | 647 | You should have received a copy of the GNU General Public License 648 | along with this program. If not, see . 649 | 650 | Also add information on how to contact you by electronic and paper mail. 651 | 652 | If the program does terminal interaction, make it output a short 653 | notice like this when it starts in an interactive mode: 654 | 655 | {project} Copyright (C) {year} {fullname} 656 | This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'. 657 | This is free software, and you are welcome to redistribute it 658 | under certain conditions; type `show c' for details. 659 | 660 | The hypothetical commands `show w' and `show c' should show the appropriate 661 | parts of the General Public License. Of course, your program's commands 662 | might be different; for a GUI interface, you would use an "about box". 663 | 664 | You should also get your employer (if you work as a programmer) or school, 665 | if any, to sign a "copyright disclaimer" for the program, if necessary. 666 | For more information on this, and how to apply and follow the GNU GPL, see 667 | . 668 | 669 | The GNU General Public License does not permit incorporating your program 670 | into proprietary programs. If your program is a subroutine library, you 671 | may consider it more useful to permit linking proprietary applications with 672 | the library. If this is what you want to do, use the GNU Lesser General 673 | Public License instead of this License. But first, please read 674 | . 675 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # py_gmm 2 | 3 | [![Binder](http://mybinder.org/badge.svg)](http://mybinder.org/repo/gevero/py_gmm) 4 | 5 | 6 | 7 | A Fortran 90 implementation of the **Generalized Multiparticle Mie** method. If you find py_gmm useful for generating results included in publications, please consider citing the following paper: 8 | 9 | Pellegrini G., Mattei G., Bello V. and Mazzoldi P. (2007) **Interacting metal nanoparticles: Optical properties from nanoparticle dimers to core-satellite systems** *Materials Science and Engineering: C 27:1347–1350*. [doi:10.1016/j.msec.2006.07.025](http://dx.doi.org/10.1016/j.msec.2006.07.025) 10 | 11 | ## Use it right away 12 | 13 | Do you want to try **py_gmm** without even installing it? Well, just click this badge [![Binder](http://mybinder.org/badge.svg)](http://mybinder.org/repo/gevero/py_gmm) or the one on top of the page! Then simply navigate to the **examples** folder and run one of the [Jupyter Notebooks](http://ipython.org/notebook.html). Modify the examples to suite your needs and run it! **Just one thing: please run only light calculations!!!** 14 | 15 | ## Use Docker 16 | 17 | Another option is to use docker. The instructions below are for linux, but should work on other platforms with minor [modifications](https://docs.docker.com/get-started/): 18 | 19 | 1. Install docker on your machine (do this, and the following, as root if using linux). 20 | 2. In the py_gmm base folder, the one that contains the Dockerfile, run `docker build --tag pygmm:1.0 .` to build the py_gmm image. 21 | 3. Run `docker run --publish 8888:8888 --detach --name pygmm pygmm:1.0` to start a container named **pygmm** and forward the 8888 port from the container to your machine. A jupyter server is already running inside the container. 22 | 4. Run `docker exec -it pygmm jupyter notebook list` to get the token that will give you access to the jupyter server. 23 | 24 | ## Installation the hard way 25 | 26 | Installing **py_gmm** should be fairly easy. First of all you need a python distribution on your system. The simplest thing to do, for any operating system (**Windows**, **OSX** or **Linux**), would be to install [Anaconda](https://store.continuum.io/cshop/anaconda/), a beautiful, free, and easy to use python distribution: the relevant installations instructions are found [here](http://docs.continuum.io/anaconda/install.html). Then you must also install The [Jupyter Notebook](http://ipython.org/notebook.html), which is already bundled in Anaconda. 27 | 28 | The second step would be installing a Fortran compiler. If you are not new to compilers, you're already covered here. If don't know much about compilers yet, my advice is to go for [gfortran](https://gcc.gnu.org/wiki/GFortran). While I strongly advise you to work under **Linux** (this code was developed under **Linux**), I will try to provide minimal informations for the installations under **WIndows** and **OSX**. Keep in mind that I never installed or tried my software under these platforms, so I offer no guarantee whatsoever. Nevertheless if you encounter any problem please open an **Issue** here on github and we'll try to work it out. Regarding installation on different platforms it goes as follows: 29 | 30 | * **Windows:** Get [MinGW](http://www.mingw.org/wiki/howto_install_the_mingw_gcc_compiler_suite) and follow the instructions to install **gfortran** on your system; 31 | * **OSX:** Get the right [gfortran](https://gcc.gnu.org/wiki/GFortranBinaries#MacOS) and if needed read the instructions [here](https://gcc.gnu.org/wiki/GFortranBinariesMacOS); 32 | * **Linux:** Install **gfortran** with the package manager of your own distro: it should be no trouble at all. 33 | 34 | The third step would be to get **py_gmm** itself. If you are familiar with [git](http://git-scm.com/) and [github](https://github.com/) you can simply clone the repository, otherwise just [download](https://github.com/gevero/py_gmm/archive/master.zip) the zipped version of the repo and unpack it wherever you like. 35 | 36 | Then we finally come to compiling: if you are under **Linux** or **OSX** `sh f2py.sh` should be sufficient to build everything. Under **Windows** try and change `f2py.sh` to `f2py.bat` and see what happens. If it does not work open an issue and we'll work it out. 37 | 38 | ## Usage 39 | 40 | The best thing to do for the moment is to start from the **.ipynb** files in the [examples](https://github.com/gevero/py_gmm/tree/master/examples) folder. You can load them in your local **Jupyter Notebook** instance: they should give you a fair idea about how to proceed for your calculations. Each function in the code features a detailed documentation easily accessible with the `Shift-Tab` tool-tip shortcut from the **Jupyter Notebook** interface. 41 | -------------------------------------------------------------------------------- /environment.yml: -------------------------------------------------------------------------------- 1 | name: binder 2 | dependencies: 3 | - numpy 4 | - scipy 5 | - matplotlib 6 | - pip: 7 | - plotly 8 | -------------------------------------------------------------------------------- /epsilon/eAuWoolam.edb: -------------------------------------------------------------------------------- 1 | 2.500000000000000000e+02 -1.227458349999999809e+00 4.693581480000000639e+00 2 | 2.600000000000000000e+02 -1.427961150000000012e+00 5.037738919999999787e+00 3 | 2.700000000000000000e+02 -1.582593209999999750e+00 5.459070399999999879e+00 4 | 2.800000000000000000e+02 -1.558265309999999904e+00 5.869966999999999935e+00 5 | 2.900000000000000000e+02 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| 1083 2.1025 0. 836 | 1084 2.1025 0. 837 | 1085 2.1025 0. 838 | 1086 2.1025 0. 839 | 1087 2.1025 0. 840 | 1088 2.1025 0. 841 | 1089 2.1025 0. 842 | 1090 2.1025 0. 843 | 1091 2.1025 0. 844 | 1092 2.1025 0. 845 | 1093 2.1025 0. 846 | 1094 2.1025 0. 847 | 1095 2.1025 0. 848 | 1096 2.1025 0. 849 | 1097 2.1025 0. 850 | 1098 2.1025 0. 851 | 1099 2.1025 0. 852 | 1100 2.1025 0. 853 | 1101 2.1025 0. 854 | 1102 2.1025 0. 855 | 1103 2.1025 0. 856 | 1104 2.1025 0. 857 | 1105 2.1025 0. 858 | 1106 2.1025 0. 859 | 1107 2.1025 0. 860 | 1108 2.1025 0. 861 | 1109 2.1025 0. 862 | 1110 2.1025 0. 863 | 1111 2.1025 0. 864 | 1112 2.1025 0. 865 | 1113 2.1025 0. 866 | 1114 2.1025 0. 867 | 1115 2.1025 0. 868 | 1116 2.1025 0. 869 | 1117 2.1025 0. 870 | 1118 2.1025 0. 871 | 1119 2.1025 0. 872 | 1120 2.1025 0. 873 | 1121 2.1025 0. 874 | 1122 2.1025 0. 875 | 1123 2.1025 0. 876 | 1124 2.1025 0. 877 | 1125 2.1025 0. 878 | 1126 2.1025 0. 879 | 1127 2.1025 0. 880 | 1128 2.1025 0. 881 | 1129 2.1025 0. 882 | 1130 2.1025 0. 883 | 1131 2.1025 0. 884 | 1132 2.1025 0. 885 | 1133 2.1025 0. 886 | 1134 2.1025 0. 887 | 1135 2.1025 0. 888 | 1136 2.1025 0. 889 | 1137 2.1025 0. 890 | 1138 2.1025 0. 891 | 1139 2.1025 0. 892 | 1140 2.1025 0. 893 | 1141 2.1025 0. 894 | 1142 2.1025 0. 895 | 1143 2.1025 0. 896 | 1144 2.1025 0. 897 | 1145 2.1025 0. 898 | 1146 2.1025 0. 899 | 1147 2.1025 0. 900 | 1148 2.1025 0. 901 | 1149 2.1025 0. 902 | 1150 2.1025 0. 903 | 1151 2.1025 0. 904 | 1152 2.1025 0. 905 | 1153 2.1025 0. 906 | 1154 2.1025 0. 907 | 1155 2.1025 0. 908 | 1156 2.1025 0. 909 | 1157 2.1025 0. 910 | 1158 2.1025 0. 911 | 1159 2.1025 0. 912 | 1160 2.1025 0. 913 | 1161 2.1025 0. 914 | 1162 2.1025 0. 915 | 1163 2.1025 0. 916 | 1164 2.1025 0. 917 | 1165 2.1025 0. 918 | 1166 2.1025 0. 919 | 1167 2.1025 0. 920 | 1168 2.1025 0. 921 | 1169 2.1025 0. 922 | 1170 2.1025 0. 923 | 1171 2.1025 0. 924 | 1172 2.1025 0. 925 | 1173 2.1025 0. 926 | 1174 2.1025 0. 927 | 1175 2.1025 0. 928 | 1176 2.1025 0. 929 | 1177 2.1025 0. 930 | 1178 2.1025 0. 931 | 1179 2.1025 0. 932 | 1180 2.1025 0. 933 | 1181 2.1025 0. 934 | 1182 2.1025 0. 935 | 1183 2.1025 0. 936 | 1184 2.1025 0. 937 | 1185 2.1025 0. 938 | 1186 2.1025 0. 939 | 1187 2.1025 0. 940 | 1188 2.1025 0. 941 | 1189 2.1025 0. 942 | 1190 2.1025 0. 943 | 1191 2.1025 0. 944 | 1192 2.1025 0. 945 | 1193 2.1025 0. 946 | 1194 2.1025 0. 947 | 1195 2.1025 0. 948 | 1196 2.1025 0. 949 | 1197 2.1025 0. 950 | 1198 2.1025 0. 951 | 1199 2.1025 0. 952 | 1200 2.1025 0. 953 | 1201 2.1025 0. 954 | 1202 2.1025 0. 955 | 1203 2.1025 0. 956 | 1204 2.1025 0. 957 | 1205 2.1025 0. 958 | 1206 2.1025 0. 959 | 1207 2.1025 0. 960 | 1208 2.1025 0. 961 | 1209 2.1025 0. 962 | 1210 2.1025 0. 963 | 1211 2.1025 0. 964 | 1212 2.1025 0. 965 | 1213 2.1025 0. 966 | 1214 2.1025 0. 967 | 1215 2.1025 0. 968 | 1216 2.1025 0. 969 | 1217 2.1025 0. 970 | 1218 2.1025 0. 971 | 1219 2.1025 0. 972 | 1220 2.1025 0. 973 | 1221 2.1025 0. 974 | 1222 2.1025 0. 975 | 1223 2.1025 0. 976 | 1224 2.1025 0. 977 | 1225 2.1025 0. 978 | 1226 2.1025 0. 979 | 1227 2.1025 0. 980 | 1228 2.1025 0. 981 | 1229 2.1025 0. 982 | 1230 2.1025 0. 983 | 1231 2.1025 0. 984 | 1232 2.1025 0. 985 | 1233 2.1025 0. 986 | 1234 2.1025 0. 987 | 1235 2.1025 0. 988 | 1236 2.1025 0. 989 | 1237 2.1025 0. 990 | 1238 2.1025 0. 991 | 1239 2.1025 0. 992 | 1240 2.1025 0. 993 | 1241 2.1025 0. 994 | 1242 2.1025 0. 995 | 1243 2.1025 0. 996 | 1244 2.1025 0. 997 | 1245 2.1025 0. 998 | 1246 2.1025 0. 999 | 1247 2.1025 0. 1000 | 1248 2.1025 0. 1001 | 1249 2.1025 0. 1002 | 1250 2.1025 0. 1003 | 1251 2.1025 0. 1004 | 1252 2.1025 0. 1005 | 1253 2.1025 0. 1006 | 1254 2.1025 0. 1007 | 1255 2.1025 0. 1008 | 1256 2.1025 0. 1009 | 1257 2.1025 0. 1010 | 1258 2.1025 0. 1011 | 1259 2.1025 0. 1012 | 1260 2.1025 0. 1013 | 1261 2.1025 0. 1014 | 1262 2.1025 0. 1015 | 1263 2.1025 0. 1016 | 1264 2.1025 0. 1017 | 1265 2.1025 0. 1018 | 1266 2.1025 0. 1019 | 1267 2.1025 0. 1020 | 1268 2.1025 0. 1021 | 1269 2.1025 0. 1022 | 1270 2.1025 0. 1023 | 1271 2.1025 0. 1024 | 1272 2.1025 0. 1025 | 1273 2.1025 0. 1026 | 1274 2.1025 0. 1027 | 1275 2.1025 0. 1028 | 1276 2.1025 0. 1029 | 1277 2.1025 0. 1030 | 1278 2.1025 0. 1031 | 1279 2.1025 0. 1032 | 1280 2.1025 0. 1033 | 1281 2.1025 0. 1034 | 1282 2.1025 0. 1035 | 1283 2.1025 0. 1036 | 1284 2.1025 0. 1037 | 1285 2.1025 0. 1038 | 1286 2.1025 0. 1039 | 1287 2.1025 0. 1040 | 1288 2.1025 0. 1041 | 1289 2.1025 0. 1042 | 1290 2.1025 0. 1043 | 1291 2.1025 0. 1044 | 1292 2.1025 0. 1045 | 1293 2.1025 0. 1046 | 1294 2.1025 0. 1047 | 1295 2.1025 0. 1048 | 1296 2.1025 0. 1049 | 1297 2.1025 0. 1050 | 1298 2.1025 0. 1051 | 1299 2.1025 0. 1052 | 1300 2.1025 0. 1053 | 1301 2.1025 0. 1054 | 1302 2.1025 0. 1055 | 1303 2.1025 0. 1056 | 1304 2.1025 0. 1057 | 1305 2.1025 0. 1058 | 1306 2.1025 0. 1059 | 1307 2.1025 0. 1060 | 1308 2.1025 0. 1061 | 1309 2.1025 0. 1062 | 1310 2.1025 0. 1063 | 1311 2.1025 0. 1064 | 1312 2.1025 0. 1065 | 1313 2.1025 0. 1066 | 1314 2.1025 0. 1067 | 1315 2.1025 0. 1068 | 1316 2.1025 0. 1069 | 1317 2.1025 0. 1070 | 1318 2.1025 0. 1071 | 1319 2.1025 0. 1072 | 1320 2.1025 0. 1073 | 1321 2.1025 0. 1074 | 1322 2.1025 0. 1075 | 1323 2.1025 0. 1076 | 1324 2.1025 0. 1077 | 1325 2.1025 0. 1078 | 1326 2.1025 0. 1079 | 1327 2.1025 0. 1080 | 1328 2.1025 0. 1081 | 1329 2.1025 0. 1082 | 1330 2.1025 0. 1083 | 1331 2.1025 0. 1084 | 1332 2.1025 0. 1085 | 1333 2.1025 0. 1086 | 1334 2.1025 0. 1087 | 1335 2.1025 0. 1088 | 1336 2.1025 0. 1089 | 1337 2.1025 0. 1090 | 1338 2.1025 0. 1091 | 1339 2.1025 0. 1092 | 1340 2.1025 0. 1093 | 1341 2.1025 0. 1094 | 1342 2.1025 0. 1095 | 1343 2.1025 0. 1096 | 1344 2.1025 0. 1097 | 1345 2.1025 0. 1098 | 1346 2.1025 0. 1099 | 1347 2.1025 0. 1100 | 1348 2.1025 0. 1101 | 1349 2.1025 0. 1102 | 1350 2.1025 0. 1103 | 1351 2.1025 0. 1104 | 1352 2.1025 0. 1105 | 1353 2.1025 0. 1106 | 1354 2.1025 0. 1107 | 1355 2.1025 0. 1108 | 1356 2.1025 0. 1109 | 1357 2.1025 0. 1110 | 1358 2.1025 0. 1111 | 1359 2.1025 0. 1112 | 1360 2.1025 0. 1113 | 1361 2.1025 0. 1114 | 1362 2.1025 0. 1115 | 1363 2.1025 0. 1116 | 1364 2.1025 0. 1117 | 1365 2.1025 0. 1118 | 1366 2.1025 0. 1119 | 1367 2.1025 0. 1120 | 1368 2.1025 0. 1121 | 1369 2.1025 0. 1122 | 1370 2.1025 0. 1123 | 1371 2.1025 0. 1124 | 1372 2.1025 0. 1125 | 1373 2.1025 0. 1126 | 1374 2.1025 0. 1127 | 1375 2.1025 0. 1128 | 1376 2.1025 0. 1129 | 1377 2.1025 0. 1130 | 1378 2.1025 0. 1131 | 1379 2.1025 0. 1132 | 1380 2.1025 0. 1133 | 1381 2.1025 0. 1134 | 1382 2.1025 0. 1135 | 1383 2.1025 0. 1136 | 1384 2.1025 0. 1137 | 1385 2.1025 0. 1138 | 1386 2.1025 0. 1139 | 1387 2.1025 0. 1140 | 1388 2.1025 0. 1141 | 1389 2.1025 0. 1142 | 1390 2.1025 0. 1143 | 1391 2.1025 0. 1144 | 1392 2.1025 0. 1145 | 1393 2.1025 0. 1146 | 1394 2.1025 0. 1147 | 1395 2.1025 0. 1148 | 1396 2.1021338149784556 0. 1149 | 1397 2.1017442914546467 0. 1150 | 1398 2.1013548040233636 0. 1151 | 1399 2.100965352684605 0. 1152 | 1400 2.100575937438372 0. 1153 | 1401 2.1001865582846633 0. 1154 | 1402 2.0997972152234805 0. 1155 | 1403 2.0994079082548223 0. 1156 | 1404 2.099018637378689 0. 1157 | 1405 2.098629402595081 0. 1158 | 1406 2.0982402039039987 0. 1159 | 1407 2.0978510413054403 0. 1160 | 1408 2.0974619147994074 0. 1161 | 1409 2.0970728243859003 0. 1162 | 1410 2.0966837700649172 0. 1163 | 1411 2.0962947518364596 0. 1164 | 1412 2.095905769700527 0. 1165 | 1413 2.0955168236571198 0. 1166 | 1414 2.0951279137062375 0. 1167 | 1415 2.09473903984788 0. 1168 | 1416 2.0943502020820475 0. 1169 | 1417 2.0939614004087406 0. 1170 | 1418 2.093572634827958 0. 1171 | 1419 2.0931839053397012 0. 1172 | 1420 2.092795211943969 0. 1173 | 1421 2.0924065546407626 0. 1174 | 1422 2.0920179334300806 0. 1175 | 1423 2.0916293483119235 0. 1176 | 1424 2.0912407992862914 0. 1177 | 1425 2.090852286353185 0. 1178 | 1426 2.0904638095126034 0. 1179 | 1427 2.0900753687645466 0. 1180 | 1428 2.0896869641090157 0. 1181 | 1429 2.0892985955460093 0. 1182 | 1430 2.0889102630755274 0. 1183 | 1431 2.088521966697571 0. 1184 | 1432 2.0881337064121404 0. 1185 | 1433 2.087745482219234 0. 1186 | 1434 2.0873572941188527 0. 1187 | 1435 2.0869691421109966 0. 1188 | 1436 2.086581026195666 0. 1189 | 1437 2.08619294637286 0. 1190 | 1438 2.085804902642579 0. 1191 | 1439 2.085416895004823 0. 1192 | 1440 2.0850289234595927 0. 1193 | 1441 2.084640988006887 0. 1194 | 1442 2.0842530886467063 0. 1195 | 1443 2.0838652253790513 0. 1196 | 1444 2.0834773982039203 0. 1197 | 1445 2.0830896071213147 0. 1198 | 1446 2.0827018521312346 0. 1199 | 1447 2.0823141332336794 0. 1200 | 1448 2.081926450428649 0. 1201 | 1449 2.081538803716144 0. 1202 | 1450 2.0811511930961637 0. 1203 | 1451 2.0807636185687093 0. 1204 | 1452 2.080376080133779 0. 1205 | 1453 2.079988577791374 0. 1206 | 1454 2.079601111541494 0. 1207 | 1455 2.0792136813841395 0. 1208 | 1456 2.07882628731931 0. 1209 | 1457 2.078438929347005 0. 1210 | 1458 2.0780516074672253 0. 1211 | 1459 2.0776643216799715 0. 1212 | 1460 2.077277071985242 0. 1213 | 1461 2.076889858383037 0. 1214 | 1462 2.076502680873358 0. 1215 | 1463 2.076115539456204 0. 1216 | 1464 2.0757284341315745 0. 1217 | 1465 2.0753413648994705 0. 1218 | 1466 2.074954331759892 0. 1219 | 1467 2.0745673347128375 0. 1220 | 1468 2.0741803737583084 0. 1221 | 1469 2.073793448896305 0. 1222 | 1470 2.0736 0. 1223 | 1471 2.0736 0. 1224 | 1472 2.0736 0. 1225 | 1473 2.0736 0. 1226 | 1474 2.0736 0. 1227 | 1475 2.0736 0. 1228 | 1476 2.0736 0. 1229 | 1477 2.0736 0. 1230 | 1478 2.0736 0. 1231 | 1479 2.0736 0. 1232 | 1480 2.0736 0. 1233 | 1481 2.0736 0. 1234 | 1482 2.0736 0. 1235 | 1483 2.0736 0. 1236 | 1484 2.0736 0. 1237 | 1485 2.0736 0. 1238 | 1486 2.0736 0. 1239 | 1487 2.0736 0. 1240 | 1488 2.0736 0. 1241 | 1489 2.0736 0. 1242 | 1490 2.0736 0. 1243 | 1491 2.0736 0. 1244 | 1492 2.0736 0. 1245 | 1493 2.0736 0. 1246 | 1494 2.0736 0. 1247 | 1495 2.0736 0. 1248 | 1496 2.0736 0. 1249 | 1497 2.0736 0. 1250 | 1498 2.0736 0. 1251 | 1499 2.0736 0. 1252 | 1500 2.0736 0. 1253 | 1501 2.0736 0. 1254 | 1502 2.0736 0. 1255 | 1503 2.0736 0. 1256 | 1504 2.0736 0. 1257 | 1505 2.0736 0. 1258 | 1506 2.0736 0. 1259 | 1507 2.0736 0. 1260 | 1508 2.0736 0. 1261 | 1509 2.0736 0. 1262 | 1510 2.0736 0. 1263 | 1511 2.0736 0. 1264 | 1512 2.0736 0. 1265 | 1513 2.0736 0. 1266 | 1514 2.0736 0. 1267 | 1515 2.0736 0. 1268 | 1516 2.0736 0. 1269 | 1517 2.0736 0. 1270 | 1518 2.0736 0. 1271 | 1519 2.0736 0. 1272 | 1520 2.0736 0. 1273 | 1521 2.0736 0. 1274 | 1522 2.0736 0. 1275 | 1523 2.0736 0. 1276 | 1524 2.0736 0. 1277 | 1525 2.0736 0. 1278 | 1526 2.0736 0. 1279 | 1527 2.0736 0. 1280 | 1528 2.0736 0. 1281 | 1529 2.0736 0. 1282 | 1530 2.0736 0. 1283 | 1531 2.0736 0. 1284 | 1532 2.0736 0. 1285 | 1533 2.0736 0. 1286 | 1534 2.0736 0. 1287 | 1535 2.0736 0. 1288 | 1536 2.0736 0. 1289 | 1537 2.0736 0. 1290 | 1538 2.0736 0. 1291 | 1539 2.0736 0. 1292 | 1540 2.0736 0. 1293 | 1541 2.0736 0. 1294 | 1542 2.0736 0. 1295 | 1543 2.0736 0. 1296 | 1544 2.0736 0. 1297 | 1545 2.0736 0. 1298 | 1546 2.0736 0. 1299 | 1547 2.0736 0. 1300 | 1548 2.0736 0. 1301 | 1549 2.0736 0. 1302 | 1550 2.0736 0. 1303 | 1551 2.0736 0. 1304 | 1552 2.0736 0. 1305 | 1553 2.0736 0. 1306 | 1554 2.0736 0. 1307 | 1555 2.0736 0. 1308 | 1556 2.0736 0. 1309 | 1557 2.0736 0. 1310 | 1558 2.0736 0. 1311 | 1559 2.0736 0. 1312 | 1560 2.0736 0. 1313 | 1561 2.0736 0. 1314 | 1562 2.0736 0. 1315 | 1563 2.0736 0. 1316 | 1564 2.0736 0. 1317 | 1565 2.0736 0. 1318 | 1566 2.0736 0. 1319 | 1567 2.0736 0. 1320 | 1568 2.0736 0. 1321 | 1569 2.0736 0. 1322 | 1570 2.0736 0. 1323 | 1571 2.0736 0. 1324 | 1572 2.0736 0. 1325 | 1573 2.0736 0. 1326 | 1574 2.0736 0. 1327 | 1575 2.0736 0. 1328 | 1576 2.0736 0. 1329 | 1577 2.0736 0. 1330 | 1578 2.0736 0. 1331 | 1579 2.0736 0. 1332 | 1580 2.0736 0. 1333 | 1581 2.0736 0. 1334 | 1582 2.0736 0. 1335 | 1583 2.0736 0. 1336 | 1584 2.0736 0. 1337 | 1585 2.0736 0. 1338 | 1586 2.0736 0. 1339 | 1587 2.0736 0. 1340 | 1588 2.0736 0. 1341 | 1589 2.0736 0. 1342 | 1590 2.0736 0. 1343 | 1591 2.0736 0. 1344 | 1592 2.0736 0. 1345 | 1593 2.0736 0. 1346 | 1594 2.0736 0. 1347 | 1595 2.0736 0. 1348 | 1596 2.0736 0. 1349 | 1597 2.0736 0. 1350 | 1598 2.0736 0. 1351 | 1599 2.0736 0. 1352 | 1600 2.0736 0. 1353 | 1601 2.0736 0. 1354 | 1602 2.0736 0. 1355 | 1603 2.0736 0. 1356 | 1604 2.0736 0. 1357 | 1605 2.0736 0. 1358 | 1606 2.0736 0. 1359 | 1607 2.0736 0. 1360 | 1608 2.0736 0. 1361 | 1609 2.0736 0. 1362 | 1610 2.0736 0. 1363 | 1611 2.0736 0. 1364 | 1612 2.0736 0. 1365 | 1613 2.0736 0. 1366 | 1614 2.0736 0. 1367 | 1615 2.0736 0. 1368 | 1616 2.0736 0. 1369 | 1617 2.0736 0. 1370 | 1618 2.0736 0. 1371 | 1619 2.0736 0. 1372 | 1620 2.0736 0. 1373 | 1621 2.0736 0. 1374 | 1622 2.0736 0. 1375 | 1623 2.0736 0. 1376 | 1624 2.0736 0. 1377 | 1625 2.0736 0. 1378 | 1626 2.0736 0. 1379 | 1627 2.0736 0. 1380 | 1628 2.0736 0. 1381 | 1629 2.0736 0. 1382 | 1630 2.0736 0. 1383 | 1631 2.0736 0. 1384 | 1632 2.0736 0. 1385 | 1633 2.0736 0. 1386 | 1634 2.0736 0. 1387 | 1635 2.0736 0. 1388 | 1636 2.0736 0. 1389 | 1637 2.0736 0. 1390 | 1638 2.0736 0. 1391 | 1639 2.0736 0. 1392 | 1640 2.0736 0. 1393 | 1641 2.0736 0. 1394 | 1642 2.0736 0. 1395 | 1643 2.0736 0. 1396 | 1644 2.0736 0. 1397 | 1645 2.0736 0. 1398 | 1646 2.0736 0. 1399 | 1647 2.0736 0. 1400 | 1648 2.0736 0. 1401 | 1649 2.0736 0. 1402 | 1650 2.0736 0. 1403 | 1651 2.0736 0. 1404 | 1652 2.0736 0. 1405 | 1653 2.0736 0. 1406 | 1654 2.0736 0. 1407 | 1655 2.0736 0. 1408 | 1656 2.0736 0. 1409 | 1657 2.0736 0. 1410 | 1658 2.0736 0. 1411 | 1659 2.0736 0. 1412 | 1660 2.0736 0. 1413 | 1661 2.0736 0. 1414 | 1662 2.0736 0. 1415 | 1663 2.0736 0. 1416 | 1664 2.0736 0. 1417 | 1665 2.0736 0. 1418 | 1666 2.0736 0. 1419 | 1667 2.0736 0. 1420 | 1668 2.0736 0. 1421 | 1669 2.0736 0. 1422 | 1670 2.0736 0. 1423 | 1671 2.0736 0. 1424 | 1672 2.0736 0. 1425 | 1673 2.0736 0. 1426 | 1674 2.0736 0. 1427 | 1675 2.0736 0. 1428 | 1676 2.0736 0. 1429 | 1677 2.0736 0. 1430 | 1678 2.0736 0. 1431 | 1679 2.0736 0. 1432 | 1680 2.0736 0. 1433 | 1681 2.0736 0. 1434 | 1682 2.0736 0. 1435 | 1683 2.0736 0. 1436 | 1684 2.0736 0. 1437 | 1685 2.0736 0. 1438 | 1686 2.0736 0. 1439 | 1687 2.0736 0. 1440 | 1688 2.0736 0. 1441 | 1689 2.0736 0. 1442 | 1690 2.0736 0. 1443 | 1691 2.0736 0. 1444 | 1692 2.0736 0. 1445 | 1693 2.0736 0. 1446 | 1694 2.0736 0. 1447 | 1695 2.0736 0. 1448 | 1696 2.0736 0. 1449 | 1697 2.0736 0. 1450 | 1698 2.0736 0. 1451 | 1699 2.0736 0. 1452 | 1700 2.0736 0. 1453 | 1701 2.0736 0. 1454 | 1702 2.0736 0. 1455 | 1703 2.0736 0. 1456 | 1704 2.0736 0. 1457 | 1705 2.0736 0. 1458 | 1706 2.0736 0. 1459 | 1707 2.0736 0. 1460 | 1708 2.0736 0. 1461 | 1709 2.0736 0. 1462 | 1710 2.0736 0. 1463 | 1711 2.0736 0. 1464 | 1712 2.0736 0. 1465 | 1713 2.0736 0. 1466 | 1714 2.0736 0. 1467 | 1715 2.0736 0. 1468 | 1716 2.0736 0. 1469 | 1717 2.0736 0. 1470 | 1718 2.0736 0. 1471 | 1719 2.0736 0. 1472 | 1720 2.0736 0. 1473 | 1721 2.0736 0. 1474 | 1722 2.0736 0. 1475 | 1723 2.0736 0. 1476 | 1724 2.0736 0. 1477 | 1725 2.0736 0. 1478 | 1726 2.0736 0. 1479 | 1727 2.0736 0. 1480 | 1728 2.0736 0. 1481 | 1729 2.0736 0. 1482 | 1730 2.0736 0. 1483 | 1731 2.0736 0. 1484 | 1732 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c.NotebookApp.iopub_data_rate_limit=1.0e10 2 | -------------------------------------------------------------------------------- /py_gmm/__init__.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | """ 3 | A Fortran 90 implementation of the Generalized Multiparticle Mie method. 4 | If you find py_gmm useful for generating results included in publications, 5 | please consider citing the following paper: 6 | 7 | Pellegrini G., Mattei G., Bello V. and Mazzoldi P. (2007) 8 | Interacting metal nanoparticles: Optical properties from 9 | nanoparticle dimers to core-satellite systems 10 | Materials Science and Engineering: C 27:1347–1350. 11 | doi:10.1016/j.msec.2006.07.025" 12 | """ 13 | 14 | import py_gmm.gmm_py as gmm_py 15 | import py_gmm.mat as mat 16 | -------------------------------------------------------------------------------- /py_gmm/datatypes.f90: -------------------------------------------------------------------------------- 1 | MODULE datatypes 2 | 3 | USE Kinds 4 | 5 | IMPLICIT NONE 6 | SAVE 7 | 8 | !****************************************************************************** 9 | ! DERIVED DATA TYPES 10 | !****************************************************************************** 11 | 12 | TYPE :: RDBL_CHAR 13 | REAL(dbl) :: value 14 | CHARACTER(len=length) :: text 15 | END TYPE 16 | 17 | !****************************************************************************** 18 | ! LINKED LIST 19 | !****************************************************************************** 20 | 21 | 22 | TYPE :: NODE_SGL_REAL ! Linked list reale single precision 23 | REAL(sgl) :: value 24 | TYPE (NODE_SGL_REAL), POINTER :: next 25 | END TYPE 26 | 27 | TYPE :: NODE_DBL_REAL ! Linked list reale double precision 28 | REAL(dbl) :: value 29 | TYPE (NODE_DBL_REAL), POINTER :: next 30 | END TYPE 31 | 32 | TYPE :: NODE_SGL_CMPLX ! Linked list complesso single precision 33 | COMPLEX(sgl) :: value 34 | TYPE (NODE_SGL_CMPLX), POINTER :: next 35 | END TYPE 36 | 37 | TYPE :: NODE_DBL_CMPLX ! Linked list complesso double precision 38 | COMPLEX(dbl) :: value 39 | TYPE (NODE_DBL_CMPLX), POINTER :: next 40 | END TYPE 41 | 42 | 43 | TYPE :: NODE_SHORT_INT ! Linked list integer short 44 | INTEGER(short) :: value 45 | TYPE (NODE_SHORT_INT), POINTER :: next 46 | END TYPE 47 | 48 | TYPE :: NODE_LONG_INT ! Linked list integer long 49 | INTEGER(lo) :: value 50 | TYPE (NODE_LONG_INT), POINTER :: next 51 | END TYPE 52 | 53 | TYPE :: NODE_CHAR ! Linked list character 54 | CHARACTER(len=length) :: value 55 | TYPE (NODE_CHAR), POINTER :: next 56 | END TYPE 57 | 58 | TYPE :: NODE_RDBL_CHAR ! Linked list character 59 | TYPE (RDBL_CHAR) :: value 60 | TYPE (NODE_RDBL_CHAR), POINTER :: next 61 | END TYPE 62 | 63 | END MODULE datatypes -------------------------------------------------------------------------------- /py_gmm/f2py.sh: -------------------------------------------------------------------------------- 1 | f2py --overwrite-signature -m gmm_py -h gmm_py.pyf gmm_f2py_module.f90 2 | f2py -c -lopenblas --build-dir ./tmp --f90exec=/usr/bin/gfortran --fcompiler=gnu95 --f90flags='-O3 -fpic -m64 -Wno-argument-mismatch' gmm_py.pyf kinds.f90 datatypes.f90 operators.f90 shared_data.f90 basicsubs.f90 gmmsubs.f90 sing_part.f90 vec_trans.f90 local_field.f90 linear_solver.f90 gmm_f2py_module.f90 3 | -------------------------------------------------------------------------------- /py_gmm/kinds.f90: -------------------------------------------------------------------------------- 1 | MODULE kinds 2 | 3 | IMPLICIT NONE 4 | SAVE 5 | 6 | INTEGER, PARAMETER :: sgl = SELECTED_REAL_KIND(p=6,r=37) 7 | INTEGER, PARAMETER :: dbl = SELECTED_REAL_KIND(p=15,r=307) 8 | !INTEGER, PARAMETER :: dbl = SELECTED_REAL_KIND(32) 9 | INTEGER, PARAMETER :: vshort = SELECTED_INT_KIND(2) 10 | INTEGER, PARAMETER :: short = SELECTED_INT_KIND(4) 11 | INTEGER, PARAMETER :: long = SELECTED_INT_KIND(9) 12 | INTEGER, PARAMETER :: lo = SELECTED_INT_KIND(9) 13 | INTEGER, PARAMETER :: length=30 14 | 15 | REAL(sgl), PARAMETER :: PI=3.1415926535897932384626433832795028841971 16 | REAL(sgl), PARAMETER :: PIO2=1.57079632679489661923132169163975144209858 17 | REAL(sgl), PARAMETER :: TWOPI=6.283185307179586476925286766559005768394 18 | REAL(sgl), PARAMETER :: SQRT2=1.41421356237309504880168872420969807856967 19 | REAL(sgl), PARAMETER :: EULER=0.5772156649015328606065120900824024310422 20 | 21 | REAL(dbl), PARAMETER :: PI_D=3.141592653589793238462643383279502884197 22 | REAL(dbl), PARAMETER :: PIO2_D=1.57079632679489661923132169163975144209858 23 | REAL(dbl), PARAMETER :: TWOPI_D=6.283185307179586476925286766559005768394 24 | REAL(dbl), PARAMETER :: SQRT2_D=1.41421356237309504880168872420969807856967 25 | REAL(dbl), PARAMETER :: EULER_D=0.5772156649015328606065120900824024310422 26 | REAL(dbl), PARAMETER :: e=1.6021765314e-19 ! Carica dell'elettrone 27 | REAL(dbl), PARAMETER :: me=9.109382616e-31 ! Massa dell'elettrone 28 | REAL(dbl), PARAMETER :: e0=8.854187817e-12 ! Costante dielettrica del vuoto 29 | REAL(dbl), PARAMETER :: c=2.99792458e8 ! Velocita' della luce nel vuoto 30 | REAL(dbl), PARAMETER :: zerodbl=0.0D0 ! Velocita' della luce nel vuoto 31 | END MODULE kinds 32 | -------------------------------------------------------------------------------- /py_gmm/mat.py: -------------------------------------------------------------------------------- 1 | '''mat.py contains subroutines to create, tabulate and manipulate optical 2 | constants''' 3 | 4 | import numpy as np 5 | import numpy.linalg as np_l 6 | import scipy.constants as sp_c 7 | import glob 8 | import os 9 | 10 | 11 | def import_eps(eps_file): 12 | '''Utility to read in optical constants, i.e. 13 | dielectric functions 14 | 15 | Parameters 16 | ---------- 17 | 'eps_file' = optical constant filename with 18 | full path 19 | 20 | Returns 21 | ------- 22 | 'e_raw[:,0]' = wavelength 23 | 'e_raw[:,1]' = real part of the dielectric function 24 | 'e_raw[:,2]' = imaginari part of the dielectric function 25 | ''' 26 | 27 | e_raw = np.loadtxt(eps_file,skiprows=1) 28 | return e_raw[:,0],e_raw[:,1],e_raw[:,2] 29 | 30 | 31 | def generate_eps_db(path_to_eps,ext="*.edb"): 32 | '''Utility to build a database of optical constants 33 | 34 | Parameters 35 | ---------- 36 | 'path_to_eps' = path to the folder containing the 37 | files of the optical constants 38 | 'ext' = extension of the files of the optical 39 | constants. "*.edb" is the default extension for 40 | the optical constant files 41 | 42 | 43 | Returns 44 | ------- 45 | 'a dictionary' = {'eps_files':eps_files, = fullpath optical constant file 46 | names 47 | 'eps_names':eps_names, = optical constants formal names 48 | 'eps_db':eps_db} = optical constant database 49 | dictionary 50 | ''' 51 | 52 | eps_files = sorted(glob.glob(path_to_eps+ext)) 53 | eps_names = [os.path.splitext(os.path.basename(eps))[0] for 54 | eps in eps_files] 55 | 56 | # Dielectric function dictionary database 57 | eps_db = {} 58 | for eps_name,eps_file in zip(eps_names,eps_files): 59 | eps_db[eps_name] = import_eps(eps_file) 60 | 61 | eps_dict = {'eps_files':eps_files, 62 | 'eps_names':eps_names, 63 | 'eps_db':eps_db} 64 | 65 | return eps_dict 66 | 67 | 68 | def db_to_eps(wl,eps_db,eps_list): 69 | '''Utility to do the following: it takes the optical constant database 70 | created with generate_eps_db end a list of optical constant names (taken 71 | from eps_names) and spits out a numpy.array of complex128 values, i.e. a 72 | vector containing the multilayer optical constants at the wavelength wl. It 73 | may come in handy when your multilayer is made of materials whose optical 74 | constants are already tabulated 75 | 76 | Parameters 77 | ---------- 78 | 'wl' = interpolation wavelength 79 | 'eps_db' = optical constant database as from generate_eps_db 80 | 'eps_list' = a list of optical constant filenames taken from the output of 81 | generate_eps_db 82 | 83 | Returns 84 | ------- 85 | 'e_list' = list of multilayer optical constants''' 86 | 87 | # checking wavelength 88 | for eps in eps_list: 89 | if (wl < eps_db[eps][0].min()): 90 | raise ValueError('interpolation wavelength too small: ' 91 | + eps + '(' + str(wl) + '/' + 92 | str(eps_db[eps][0].min()) + ')') 93 | if (wl > eps_db[eps][0].max()): 94 | raise ValueError('interpolation wavelength too large: ' 95 | + eps + '(' + str(wl) + '/' + 96 | str(eps_db[eps][0].max()) + ')') 97 | 98 | # dielectric constant array 99 | e_list = np.array([np.interp(wl,eps_db[eps][0],eps_db[eps][1]) + 100 | 1j*np.interp(wl,eps_db[eps][0],eps_db[eps][2]) 101 | for eps in eps_list]) 102 | 103 | return e_list 104 | 105 | 106 | def eps_drude(wl,eps_inf,w_p,gamma): 107 | '''computation of the drude dielectric function 108 | 109 | Parameters 110 | ---------- 111 | 'wl' = computation wavelength (nm) 112 | 'eps_inf' = high frequency constant, for frequency much higher than the 113 | bulk plasma ones 114 | 'w_p' = bulk plasma frequency (eV) 115 | 'gamma' = damping constant (eV) 116 | 117 | Returns 118 | ------- 119 | 'eps' = drude optical constant at the wavelength wl''' 120 | 121 | # computation 122 | 123 | # nm to eV 124 | w = 1240.0/wl 125 | eps = eps_inf-(w_p**2)/(w**2+1j*w*gamma) 126 | 127 | return eps 128 | 129 | 130 | def eps_corr_drude(wl,w_p,gamma_inf,vf,r): 131 | '''computation of the drude dielectric function correction 132 | for spherical particles of finite size as in: 133 | Kreibig Vollmer "Optical properties of metal clusters" 134 | 135 | Parameters 136 | ---------- 137 | 'wl' = computation wavelength (nm) 138 | 'w_p' = bulk plasma frequency (eV) 139 | 'gamma_inf' = bulk damping constant (eV) 140 | 'vf' = Fermi velocity (m/s) 141 | 'r' = particle radius (nm) 142 | 143 | Returns 144 | ------- 145 | 'eps_r' = drude optical constant size correction''' 146 | 147 | # computation 148 | h_bar = 6.58211928e-16 # h_bar eV 149 | gamma_r = gamma_inf+h_bar*vf/(r*1e-9) 150 | w = 1240.0/wl # nm to eV 151 | 152 | eps_r = (w_p**2)/(w**2 + 1j*w*gamma_inf) - (w_p**2)/(w**2 + 1j*w*gamma_r) 153 | 154 | return eps_r 155 | 156 | 157 | def eps_xy_drude(wl,w_p,gamma,B,f_m=0.0): 158 | '''computation of the off diagonal optical constant for a noble metal 159 | according to a free electron model 160 | 161 | Parameters 162 | ---------- 163 | 'wl' = computation wavelength (nm) 164 | 'w_p' = bulk plasma frequency (eV) 165 | 'gamma' = damping constant (eV) 166 | 'B' = magnetic field (Tesla) 167 | 'f_m' = Verdet constant 168 | 169 | Returns 170 | ------- 171 | 'eps_xy' = off diagonal drude optical constant at the wavelength wl''' 172 | 173 | # computation 174 | h_bar = 6.58211928e-16 # h_bar eV 175 | w = 1240.0/wl # nm to eV 176 | m_e = sp_c.m_e # electron mass 177 | e_el = sp_c.e # elementary charge 178 | w_c = -h_bar*(e_el*B)/m_e # cyclotron frequency (rad/s to eV) 179 | eps_xy = 1j*((w_p**2)*w_c)/(w*(w+1j*gamma)**2) 180 | 181 | return eps_xy 182 | 183 | 184 | def m_eff_MG(m_L,m_D,V,m_e1,m_e2,w_l,f): 185 | '''calculates the MG effective dielectric tensor for the ellipsoid layer 186 | 187 | Parameters 188 | ---------- 189 | 'm_L,m_D' = static and dynamic geometrical tensor of the ellipsoid 190 | 'V'=volume of the ellipsoind 191 | 'm_e1,m_e2' = diagonal tensor of the embedding matrix, 192 | Magneto Optical tensor of the ellipsoid 193 | 'w_l' = incident wavelength in nm 194 | 'f' = filling factor 195 | 196 | Returns 197 | ------- 198 | 'eff_MG' = effective dielectric tensor of the mixed material 199 | containing the ellipsoids''' 200 | 201 | m_I = np.identity(3) 202 | k = 2.0*np.pi*np.sqrt(m_e1[2,2])/w_l 203 | 204 | m_1 = (1-f)*(m_L - ((k**2)*V*m_D/(4.0*np.pi)) - 205 | 1j*((k**3)*V*m_I/(6.0*np.pi))) 206 | m_2 = m_e2-m_e1 207 | m_3 = m_I+np.dot(np.dot(m_1,m_2),np_l.inv(m_e1)) 208 | 209 | eff_MG = m_e1+np.dot(f*m_2,np_l.inv(m_3)) 210 | 211 | return eff_MG 212 | -------------------------------------------------------------------------------- /py_gmm/operators.f90: -------------------------------------------------------------------------------- 1 | MODULE operators 2 | 3 | USE kinds 4 | USE datatypes 5 | 6 | INTERFACE OPERATOR (==) 7 | MODULE PROCEDURE equals_rdbl_char 8 | END INTERFACE 9 | 10 | CONTAINS 11 | 12 | LOGICAL FUNCTION equals_rdbl_char(left_hand,right_hand) 13 | 14 | IMPLICIT NONE 15 | 16 | ! Dichiarazione dummy arguments 17 | TYPE (RDBL_CHAR), INTENT(IN) :: left_hand, right_hand 18 | 19 | equal_if: IF ( (left_hand%value == right_hand%value) .AND. (right_hand%text == left_hand%text) ) THEN 20 | equals_rdbl_char = .TRUE. 21 | ELSE 22 | equals_rdbl_char = .FALSE. 23 | END IF equal_if 24 | END FUNCTION equals_rdbl_char 25 | 26 | 27 | 28 | END MODULE operators -------------------------------------------------------------------------------- /py_gmm/shared_data.f90: -------------------------------------------------------------------------------- 1 | MODULE shared_data 2 | 3 | USE KINDS 4 | 5 | IMPLICIT NONE 6 | SAVE 7 | !******************************************************************************************************************** 8 | !******************************************************************************************************************** 9 | !******************************************************************************************************************** 10 | ! Shared Variables 11 | !******************************************************************************************************************** 12 | !******************************************************************************************************************** 13 | !******************************************************************************************************************** 14 | INTEGER(lo) :: nstop,ns,nsc,ncell,nacell,nbcell,ndip,ns_ant,imin,imax,jmin,jmax,namin,namax,nbmin,nbmax 15 | REAL(dbl) :: ax,ay,az,bx,by,bz 16 | COMPLEX(dbl) :: a1mie=-2.0D0*(0.0D0,1.0D0)/3.0D0 17 | INTEGER(lo), ALLOCATABLE, DIMENSION(:) :: v_jBlock,v_iBlock,v_jBlock_rhs,v_iBlock_rhs,v_jBlock_sca,v_iBlock_sca 18 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:,:) :: m_sAij,m_sBij,m_sAij_sca,m_sBij_sca,m_sAij_rhs,m_sBij_rhs 19 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:) :: v_sT1ij,v_sT2ij,v_sU1ij,v_sU2ij,v_sTUij,v_sAij,v_sBij,v_sAijh,v_sBijh 20 | INTEGER(lo), ALLOCATABLE, DIMENSION(:,:) :: m_jABij,m_iABij,m_jABij_rhs,m_iABij_rhs 21 | INTEGER(lo), ALLOCATABLE, DIMENSION(:) :: v_jABij,v_iABij,v_jABij_template,v_iABij_template,v_jTUij,v_iTUij,v_jDij,v_iDij 22 | REAL(dbl), ALLOCATABLE, DIMENSION(:,:) :: m_Dij,m_Dij_rhs,m_Dij_sca 23 | REAL(dbl), ALLOCATABLE, DIMENSION(:) :: v_sDij 24 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:) :: v_mask 25 | INTEGER(lo), ALLOCATABLE, DIMENSION(:,:) :: m_jDij,m_iDij,m_jDij_rhs,m_iDij_rhs,m_jDij_sca,m_iDij_sca 26 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:) :: v_precond_shell ! Vettore preconditioning codice shell 27 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:,:) :: m_exphi, m_exphi_rhs 28 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:) :: v_exphi 29 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:,:) :: m_a,m_b,m_c,m_d !Matrici coefficienti particella singola 30 | INTEGER(lo), ALLOCATABLE ,DIMENSION(:) :: v_patt !Array per il pattern di uguaglianza 31 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:,:) :: m_AB,m_ABJ,m_AB_swap 32 | REAL(dbl), DIMENSION(-200:200) :: v_oner !Real vector for the 1.0D0 exponential 33 | REAL(dbl), DIMENSION(0:120,0:120) :: m_fact !Real vector for the 1.0D0 exponential 34 | COMPLEX(dbl), DIMENSION(0:400) :: v_ic !Complex vector for the (0.0D0,1.0D0) exponential 35 | 36 | !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 37 | !Core shell codes shared data 38 | !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 39 | INTEGER(lo), ALLOCATABLE, DIMENSION(:) :: v_iAB,v_jAB,v_iAABB,v_jAABB,v_iM,v_jM,v_iM_dip,v_jM_dip 40 | COMPLEX(dbl), ALLOCATABLE, DIMENSION(:) :: v_sA,v_sB,v_sAABB,v_sM,v_sM_dip 41 | END MODULE shared_data 42 | -------------------------------------------------------------------------------- /setup.py: -------------------------------------------------------------------------------- 1 | from setuptools import setup 2 | 3 | setup(name='py_gmm', 4 | version='0.01', 5 | description='Generalized Multiparticle Mie theory code for plasmonics', 6 | url='http://github.com/gevero/py_gmm', 7 | author='Flying Circus', 8 | author_email='johndoe@johndoe.com', 9 | license='GPLv3', 10 | packages=['py_gmm'], 11 | zip_safe=False) 12 | --------------------------------------------------------------------------------