Metadata-Version: 2.4
Name: wulfric
Version: 0.6.2
Summary: Cell, Atoms, K-path.
Author-email: Andrey Rybakov <rybakov.ad@icloud.com>
License: GPL-3.0 license
Project-URL: Homepage, https://wulfric.org
Project-URL: Documentation, https://wulfric.org
Project-URL: Repository, https://github.com/adrybakov/wulfric.git
Project-URL: Issues, https://github.com/adrybakov/wulfric/issues
Project-URL: Changelog, https://wulfric.org/en/latest/release-notes/index.html
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Topic :: Software Development
Classifier: Topic :: Scientific/Engineering
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9
Description-Content-Type: text/x-rst
License-File: LICENSE
License-File: LICENSE.template
Requires-Dist: numpy
Requires-Dist: spglib>=0.1.15
Provides-Extra: visual
Requires-Dist: plotly; extra == "visual"
Requires-Dist: scipy; extra == "visual"
Dynamic: license-file

*******
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/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 crystals (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]"
