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        "author": "Giovanni Pizzi",
        "author_email": "",
        "bugtrack_url": null,
        "classifiers": [
            "License :: OSI Approved :: MIT License",
            "Operating System :: OS Independent",
            "Programming Language :: Python :: 2",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3",
            "Programming Language :: Python :: 3.5",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics",
            "Topic :: Software Development :: Libraries :: Python Modules"
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        "description": "#########\nSeeK-path\n#########\n\nTest status: branch `master`: |travismaster|; branch `develop`: |travisdevelop|\n\n.. |travismaster| image:: https://travis-ci.org/giovannipizzi/seekpath.svg?branch=master\n    :target: https://travis-ci.org/giovannipizzi/seekpath\n\n.. |travisdevelop| image:: https://travis-ci.org/giovannipizzi/seekpath.svg?branch=develop\n    :target: https://travis-ci.org/giovannipizzi/seekpath\n\n``SeeK-path`` is a python module to obtain and visualize band paths in the\nBrillouin zone of crystal structures. \n\nThe definition of k-point labels follows crystallographic convention, as defined\nand discussed in the `HPKOT paper`_. Moreover, the Bravais lattice is detected\nproperly using the spacegroup symmetry. Also the suggested band path provided\nin the `HPKOT paper`_ is returned.\nSystems without time-reversal and inversion-symmetry are also properly \ntaken into account.\n\n.. contents::\n\n.. section-numbering::\n\n===========\nHow to cite\n===========\nIf you use this tool, please cite the following work:\n\n- Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, I. Tanaka, *Band structure diagram \n  paths based on crystallography*, Comp. Mat. Sci. 128, 140 (2017)\n  (`JOURNAL LINK`_, `arXiv link`_).\n- You should also cite `spglib`_ that is an essential library used in the \n  implementation: A. Togo, I. Tanaka, \n  \"Spglib: a software library for crystal symmetry search\", arXiv:1808.01590 (2018) (`spglib arXiv link`_).\n\n============\nContributors\n============\n- Tiziano M\u00fcller (UZH, Switzerland) for the CP2K input file generator\n  and added a number of new input formats (XYZ, PDB, ...)\n\n=============================\nHow to install and how to use\n=============================\n\nPlease visit the SeeK-path `user guide is on Read the docs`_.\n\n=======\nLicense\n=======\n\nThe code is open-source (licensed with a MIT license, see LICENSE.txt).\n\n===================\nOnline service/tool\n===================\n\nIn this repository we also provide the code to deploy a online service for \nthe visualization of the band paths and primitive cells of the crystal \nstructures. A live demo is currently hosted on the `Materials Cloud`_ web portal.\n\nThe following is a screenshot of the selection window:\n\n.. image:: https://raw.githubusercontent.com/giovannipizzi/seekpath/master/webservice/screenshots/selector.png\n     :alt: SeeK-path web service selection window\n     :width: 50%\n     :align: center\n\nAnd the following is a screenshot of the main output window, showing the Brillouin zone, the primitive crystal structure, the coordinates of the k-points and the suggested band path.\n\n.. image:: https://raw.githubusercontent.com/giovannipizzi/seekpath/master/webservice/screenshots/mainwindow.png\n     :alt: SeeK-path web service main output\n     :width: 50%\n     :align: center\n\n.. _HPKOT paper: http://dx.doi.org/10.1016/j.commatsci.2016.10.015\n.. _JOURNAL LINK: http://dx.doi.org/10.1016/j.commatsci.2016.10.015\n.. _arXiv link: https://arxiv.org/abs/1602.06402\n.. _spglib: http://atztogo.github.io/spglib/\n.. _Materials Cloud: http://www.materialscloud.org/tools/seekpath/\n.. _docker hub: https://hub.docker.com/r/giovannipizzi/seekpath/\n.. _user guide is on Read the docs: http://seekpath.readthedocs.io\n.. _spglib arXiv link: https://arxiv.org/abs/1808.01590\n\n\n",
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        "keywords": "path,band structure,Brillouin,crystallography,physics,primitive cell,conventional cell",
        "license": "The MIT license",
        "maintainer": "",
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