{ "info": { "author": "Max J. Hoffmann", "author_email": "mjhoffmann@gmail.com", "bugtrack_url": null, "classifiers": [], "description": "kmos: kMC modelling on steroids\n=====================================\n*a vigorous attempt to make lattice kinetic Monte Carlo modelling more accessible.*\n\nCopyright (C) 2009-13 Max J. Hoffmann \n\nThis program is free software; you can redistribute it and/or modify it under\nthe terms of the GNU General Public License as published by the Free Software\nFoundation; either version 3 of the License, or (at your option) any later\nversion.\n\nThis program is distributed in the hope that it will be useful, but WITHOUT\nANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS\nFOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.\n\nYou should have received a copy of the GNU General Public License along with\nthis program; if not, see `http://www.gnu.org/licenses/ `_.\n\n\nDOCUMENTATION\n##############\n\nPlease refer to\n\n* https://www.th4.ch.tum.de/index.php?id=1321\n* http://mhoffman.github.io/kmos/\n* http://kmos.readthedocs.org/\n\nor links therein for tutorials, user guide, reference, and troubleshooting hints.\n\n\nTHANKS\n######\n\nThis project draws on several other great Python modules, which are in turn\neach free software and I would like to thank each of these projects for\nmaking their code freely avalaible, namely:\n\n* `Python `_\n* `ASE `_\n* Numpy\n* `f2py `_\n* `kiwi `_, gazpacho\n* lxml and in particular `ElementTree `_\n\nFILES\n#####\n| \u251c\u2500\u2500 COPYING # Copy of GPLv3\n| \u251c\u2500\u2500 INSTALL.rst # installation instructions\n| \u251c\u2500\u2500 README.rst # This document\n| \u251c\u2500\u2500 TODO.rst # Ideas for improvement and new features\n| \u251c\u2500\u2500 requirements.txt # Dependencies which can be installed via pip\n| \u251c\u2500\u2500 setup.py # setuptools using setup script\n| \u251c\u2500\u2500 index.html # landing website\n| \u251c\u2500\u2500 kmos/ # the core kmos python modules\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 cli.py # the command line interface\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 config.py # configuration of some project wide paths\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 fortran_src/ # static Fortran 90 source files\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 assert.ppc # assertion macro\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 base.f90 # the default kMC solver\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 base_lat_int.f90 # slightly modified kMC solver for lat_int backend\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 kind_values.f90 # definition of project wide kind values\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u2514\u2500\u2500 main.f90 # source template for standalone Fortran 90 clients\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 gui/ # kmos.gui module\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 forms.py # view definitions (MVC) of editor GUI\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u2514\u2500\u2500 __init__.py # controller definitions (MVC) of editor GUI\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 __init__.py # root import module\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 io.py # conversion between format: contains main Code Generator\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 kmc_editor.glade # Glade XML definiton for form interfaces\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 kmc_project_v0.1.dtd # Document Type Definition file of kMC project v0.1\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 kmc_project_v0.2.dtd # Document Type Definition file of kMC project v0.2\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 run.py # High-level API for compiled models\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 species.py # Convenient interface for some reaction intermediates\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 types.py # The basic classes for building kMC models\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 units.py # Definition of conversion factor (CODATA 2010)\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 utils/ # Utility function that didn't fit elsewhere\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 __init__.py\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 ordered_dict.py\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u251c\u2500\u2500 progressbar.py\n| \u2502\u00a0\u00a0 \u2502\u00a0\u00a0 \u2514\u2500\u2500 terminal.py\n| \u2502\u00a0\u00a0 \u2514\u2500\u2500 view.py # The runtime GUI for compiled models\n| \u251c\u2500\u2500 doc/ # user guide, documentation, and reference\n| \u2502\u00a0\u00a0 \u2514\u2500\u2500 source/ # documentation source file for compilation with Sphinx\n| \u251c\u2500\u2500 examples/ # demoing non-standard features and useful idioms\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 AB_model.py # small demo file\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 benchmark_compilers_and_backends.sh # demo file\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 crowded.xml # demo file\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 dreiD.xml # demo file for 3d model\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 dummy.xml # mininal model\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 model_Pt111_surface.py # demo file for non-rectangular lattice\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 multidentate.py # basic example for multidentate adsorption\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_bigcell.py # demo containing many sites\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_co_oxidation_ruo2.py # demoing th CO Oxidation at RuO2(110) model\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_diffusion_model.py # idioms for describing lateral interaction\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_einsD.py # simple 1-dimensional model\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_multispecies.py # render many species\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_pairwise_interaction.py # idioms for describing lateral interaction\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_Pt_111.py # another non-rectangular lattice\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 render_sand_model.py # a neat diffusion model for non-trivial boundary conditions\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 run_in_multi_process.py # an example for parallelization over processes\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 run.py # a high-level run script using the ModelRunner metaclass\n| \u2502\u00a0\u00a0 \u251c\u2500\u2500 ruptured_Pd.xml # a fcc(100) like surface with some sites missing\n| \u2502\u00a0\u00a0 \u2514\u2500\u2500 small.xml # demo file\n| \u251c\u2500\u2500 tests/ # Unit tests and test data\n| \u2514\u2500\u2500 tools # Entry points for command line interface\n| \u251c\u2500\u2500 kmos\n| \u251c\u2500\u2500 kmos.bat\n| \u251c\u2500\u2500 kmos-build-standalone\n| \u2514\u2500\u2500 kmos-install-dependencies-ubuntu", "description_content_type": null, "docs_url": null, "download_url": "UNKNOWN", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/mhoffman/kmos", "keywords": null, "license": "COPYING", "maintainer": null, "maintainer_email": null, "name": "python-kmos", "package_url": "https://pypi.org/project/python-kmos/", "platform": "linux,windows", "project_url": "https://pypi.org/project/python-kmos/", "project_urls": { "Download": "UNKNOWN", "Homepage": "https://github.com/mhoffman/kmos" }, "release_url": "https://pypi.org/project/python-kmos/0.3.9/", "requires_dist": null, "requires_python": null, "summary": "kMC modeling on steroids", "version": "0.3.9" }, "last_serial": 1133620, "releases": { "0.3.5": [], "0.3.6": [ { "comment_text": "", "digests": { "md5": "75403daa10c4aed9b4f01714eff55828", "sha256": "f6b55686eee38886be70621b3c5253d4cd3106f1d644d4ce1050faba81483ce5" }, "downloads": -1, "filename": "python-kmos-0.3.6.tar.gz", "has_sig": false, "md5_digest": "75403daa10c4aed9b4f01714eff55828", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 134905, "upload_time": "2014-02-03T15:20:05", "url": "https://files.pythonhosted.org/packages/0c/c9/8625a53c72846abf662e726f7b53f74f7c522214b1741ecf050d2710d91a/python-kmos-0.3.6.tar.gz" } ], "0.3.9": [ { "comment_text": "", "digests": { "md5": "acf3e31bacf787b825356fcef2327293", "sha256": "29adf4c3dba1db93ea257b14fbd5a55ae55cf16dda451f41d1f3eefc2df50d8d" }, "downloads": -1, "filename": "python-kmos-0.3.9.tar.gz", "has_sig": false, "md5_digest": "acf3e31bacf787b825356fcef2327293", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 135369, "upload_time": "2014-06-22T10:52:05", "url": "https://files.pythonhosted.org/packages/29/6d/1d33fac8293a47b35edbd816e8424e66a9063d29b54f88b9ed8953e83eaa/python-kmos-0.3.9.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "acf3e31bacf787b825356fcef2327293", "sha256": "29adf4c3dba1db93ea257b14fbd5a55ae55cf16dda451f41d1f3eefc2df50d8d" }, "downloads": -1, "filename": "python-kmos-0.3.9.tar.gz", "has_sig": false, "md5_digest": "acf3e31bacf787b825356fcef2327293", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 135369, "upload_time": "2014-06-22T10:52:05", "url": "https://files.pythonhosted.org/packages/29/6d/1d33fac8293a47b35edbd816e8424e66a9063d29b54f88b9ed8953e83eaa/python-kmos-0.3.9.tar.gz" } ] }