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        "author": "Michael Ashton",
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        "description": "[![Build Status](https://travis-ci.org/ashtonmv/twod_materials.svg?branch=master)](https://travis-ci.org/ashtonmv/twod_materials)\n[![Coverage](https://codecov.io/gh/ashtonmv/twod_materials/coverage.svg?branch=master)](https://codecov.io/gh/ashtonmv/twod_materials)\n\n<img src=\"https://s3.amazonaws.com/mashton/twod_materials_logo.png\" alt=\"Drawing\" width=\"200\"/>\n\nAbout twod_materials\n====================\n\nThe official documentation for `twod_materials`, which includes a pretty\ncomprehensive set of tutorials, can be found\n[here](https://pythonhosted.org/twod_materials/).\n\nThe [wiki pages](https://github.com/ashtonmv/twod_materials/wiki) contain the\nunofficial but still well-maintained documentation for `twod_materials`,\nincluding the tutorials.\n\n# Overview #\n\n`twod_materials` is a library of functions that I've used in my research on\ndiscovering and characterizing 2D materials. Some of them I have used thousands\nof times, and others I have used less than five times. The functions in\n`twod_materials` have been designed with user-friendliness as a priority,\nwhich occasionally comes at the expense of flexibility. For example, some of the\npost-processing functions will assume you have used a certain directory\nstructure when organizing your calculations. The goal here was not to be\nrestrictive, but to be streamlined.\n\n# Installation and setup #\n\nThe latest stable release can be installed with ``pip``:\n```bash\npip install numpy\npip install twod_materials\n```\n\nAlternatively, the very latest (no promises) version of `twod_materials` can be\ninstalled by cloning this repository. Once you've cloned it\non your system, run `pip install numpy` and then\n`pip install -r requirements.txt` to install its dependencies. You should then\nadd its location to your system's `$PYTHONPATH` so you can import its\nfunctions from anywhere. There are a few ways to do this, including adding the\nfollowing line to your `~/.bashrc` file:\n```\n  export PYTHONPATH=$PYTHONPATH:/path/to/twod_materials  # obviously change this\n```\nEdit config.yaml with your system's settings, following the template:\n```\n  mp_api: your_materials_project_api_key\n  normal_binary: path_to_normal_vasp_executable\n  twod_binary: path_to_twod_vasp_executable\n  potentials: path_to_your_vasp_potentials\n  queue_system: slurm_or_pbs\n```\nand then copy or move it to your home directory (~).\n\n# How the package is structured #\n\nThere are five mature modules in `twod_materials`: `stability`,\n`electronic_structure`, `pourbaix`, `friction`, and `intercalation`.\nThe `magnetism` module is, for now, still in its infancy. The `utils` module\nis basically just a library of helper functions used throughout the other\npackages.\n\nEach of these modules has two submodules: `startup` and `analysis`. For\nmost modules, `startup` contains functions that set up and submit VASP\ncalculations by interacting with your machine's queue system (PBS or SLURM). It\nmight be helpful to think of the `startup` submodules as pre-processing tools.\nThe `analysis` submodules, then, contain post-processing functions. These\npost-processing functions can be grouped into two main categories: functions for\nanalyzing data and functions for plotting it. All plotting functions use\n`matplotlib`.\n\nThroughout the package, there are a few configuration files that for the most\npart don't need to be changed (as opposed to config.yaml, which does):\npotcar_symbols.yaml and the yaml files under the `pourbaix` module.\n\nSee the [tutorials](https://github.com/ashtonmv/twod_materials/wiki/Tutorial-1:-stability)\nfor sample usage of every function in `twod_materials`.\n",
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