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        "author": "Peter Boyd, Mohamad Moosavi, Matthew Witman",
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        "description": "[![Build Status](https://travis-ci.org/peteboyd/lammps_interface.svg?branch=master)](https://travis-ci.org/peteboyd/lammps_interface)\n# LAMMPS Interface\n## Authors\n\n-   Peter Boyd\n-   Mohamad Moosavi\n-   Matthew Witman\n\n## Description\nThis program was designed for easy interface between the crystallographic\ninformation file (.[cif]) and the Large-scale Atomic Molecular Massively\nParallel Simulator ([Lammps]).\n\n## Installation\nSimply install from [PyPI](https://pypi.org/project/lammps-interface/):\n```\npip install lammps-interface\n```\n\nFor development purposes, clone the repository and install it from source:\n```\npip install -e .\n```\n\nNote: In both cases, this adds `lammps-interface` to your `PATH`.\n\n## Usage\n\n### Command line interface\nTo see the optional arguments type:\n```\nlammps-interface --help\n```\nTo create [Lammps] simulation files for a given cif file type:\n```\nlammps-interface cif_file.cif\n```\nThis will create [Lammps] simulation files with UFF parameters.\n\n### Jupyter notebook\nIn order to implement module to your project check out Jupyter notebooks provided in this repository in `/notebooks` for usage examples.\n\n## Licence\nMIT licence (see LICENCE file)\n\n## Citation\nThe publication associated with this code is found here:\n\nBoyd, P. G., Moosavi, S. M., Witman, M. & Smit, B. Force-Field Prediction of Materials Properties in Metal-Organic Frameworks. J. Phys. Chem. Lett. 8, 357\u2013363 (2017).\n\nhttps://dx.doi.org/10.1021/acs.jpclett.6b02532\n\n[Lammps]: http://lammps.sandia.gov/\n[cif]: https://en.wikipedia.org/wiki/Crystallographic_Information_File\n\n\n",
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        "summary": "Automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs",
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