{ "info": { "author": "Adam J. Plowman", "author_email": "adam.plowman@manchester.ac.uk", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Intended Audience :: Science/Research", "License :: OSI Approved :: Mozilla Public License 2.0 (MPL 2.0)", "Operating System :: OS Independent", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Programming Language :: Python :: 3.7", "Topic :: Scientific/Engineering" ], "description": "[![PyPI version](https://badge.fury.io/py/castep-parse.svg)](https://badge.fury.io/py/castep-parse)\n\n# castep-parse\nInput file writers and output file readers for the density functional theory code CASTEP.\n\n## Installation\n\n`pip install castep-parse`\n\n## Notes\n\nThis code has generally been used for `task=singlepoint` and `task=geometryoptimisation` simulations. 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