{ "info": { "author": "Matthew Spellings", "author_email": "mspells@umich.edu", "bugtrack_url": null, "classifiers": [ "License :: OSI Approved :: BSD License", "Programming Language :: Python :: 3", "Topic :: Scientific/Engineering :: Artificial Intelligence", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics" ], "description": "==================================\nWelcome to pythia's documentation!\n==================================\n\nPythia is a library to generate numerical descriptions of particle\nsystems. Most methods rely heavily on `freud\n`_ for efficient neighbor search\nand other accelerated calculations.\n\nInstallation\n============\n\nPythia is available on PyPI as `pythia-learn`::\n\n $ pip install pythia-learn freud-analysis\n\nYou can install pythia from source like this::\n\n $ git clone https://github.com/glotzerlab/pythia.git\n $ # now install\n $ cd pythia && python setup.py install --user\n\n.. note::\n\n If using conda or a virtualenv, the `--user` argument in the pip\n command above is unnecessary.\n\nCitation\n========\n\nIn addition to the citations referenced in the docstring of each\nfunction, we encourage users to cite the pythia project itself.\n\nDocumentation\n=============\n\nThe documentation is available as standard sphinx documentation::\n\n $ cd doc\n $ make html\n\nAutomatically-built documentation is available at\nhttps://pythia-learn.readthedocs.io .\n\nUsage\n=====\n\nIn general, data types follow the `hoomd-blue schema\n`_:\n\n- Positions are an Nx3 array of particle coordinates, with `(0, 0, 0)` being the center of the box\n- Boxes are specified as an object with `Lx`, `Ly`, `Lz`, `xy`, `xz`, and `yz` elements\n- Orientations are specified as orientation quaternions: an Nx4 array of `(r, i, j, k)` elements\n\nExamples\n========\n\nExample notebooks are available in the `examples` directory:\n\n- `Unsupervised learning `_\n- `Supervised learning `_\n- `Steinhardt and Pythia order parameter comparison (FCC and HCP) `_\n\n\n\n", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "", "keywords": "", "license": "BSD", "maintainer": "", "maintainer_email": "", "name": "pythia-learn", "package_url": "https://pypi.org/project/pythia-learn/", "platform": "", "project_url": "https://pypi.org/project/pythia-learn/", "project_urls": { "Documentation": "https://pythia-learn.readthedocs.io/", "Source": "https://github.com/glotzerlab/pythia" }, 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