Various scripts for condense matter calculations and post-processing.

https://badge.fury.io/py/rad-tools.svg Documentation Status https://static.pepy.tech/personalized-badge/rad-tools?period=total&units=international_system&left_color=grey&right_color=blue&left_text=Downloads https://img.shields.io/badge/code%20style-black-000000.svg GitHub

The package covers post-processing scenarios for the results of Quantum Espresso, TB2J and Wannier90, as well as provides some custom scripts.

It is expected to be used in two ways:

  • As Python library

  • Via scripts (i.e. usage from command line)

For the detailed description check documentation.

Installation

Requirement for RAD-tools installation are:

  • Python itself (>=3.8)

  • NumPy

  • SciPy

  • matplotlib

  • tqdm

  • termcolor

RAD-tools can be installed with pip or from source.

pip

To install RAD-tools, run (you may need to use pip3):

pip install rad-tools

Installing from source

  • Clone the project to your local computer:

git clone git@github.com:adrybakov/rad-tools.git

  • Change the directory:

cd rad-tools

  • To install RAD-tools, run (you may need to use pip3):

pip install rad-tools

Additionally you may run the unit tests, which requires pytest (requires Python 3.7+) to be installed:

make test

To install pytest, run (you may need to use pip3):

pip install pytest

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Newer release available (1.0.1)

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for adrybakov from gravatar.com adrybakov

Credits

Author: Andrey Rybakov

License

MIT License (MIT license)

Requires

Python >=3.8

Classifiers

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