*******
Wulfric
*******
Crystal, Lattice, Atoms, K-path.
.. image:: https://badge.fury.io/py/wulfric.svg
:target: https://badge.fury.io/py/wulfric/
.. image:: https://readthedocs.org/projects/wulfric/badge/?version=latest
:target: https://wulfric.org/en/latest/?badge=latest
:alt: Documentation Status
.. image:: https://img.shields.io/badge/code%20style-black-000000.svg
:target: https://github.com/psf/black/
.. image:: https://img.shields.io/badge/%20imports-isort-%231674b1?style=flat&labelColor=505050
:target: https://pycqa.github.io/isort/
.. image:: https://img.shields.io/badge/License-GPLv3-blue.svg
:target: https://www.gnu.org/licenses/gpl-3.0
.. image:: https://results.pre-commit.ci/badge/github/adrybakov/wulfric/main.svg
:target: https://results.pre-commit.ci/latest/github/adrybakov/wulfric/main
:alt: pre-commit.ci status
Wulfric is a python package for the crystal structures. It uses a simple concepts of
``cell`` and ``atoms`` and provides a set of functions for the manipulations with them.
The functionality of wulfric includes (but not limited to):
* Calculation of Bravais lattice type and variation.
* Automatic choice of the Kpoints and K-path based on Bravais lattice types.
* Set of useful functions for manipulations with cells and crystalls (cell + atoms).
* Implementation of LePage and Niggli reduction algorithms.
Please visit an extensive documentation on `wulfric.org <https://wulfric.org>`_ to find out more.
Installation
============
To install wulfric, run (you may need to use ``pip3``):
.. code-block:: console
pip install wulfric
To install with optional visualization capabilities, run (you may need to use ``pip3``):
.. code-block:: console
pip install "wulfric[visual]"
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