Metadata-Version: 2.1
Name: Euphonic
Version: 1.5.1
Summary: Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from modelling code output (e.g. CASTEP)
Keywords: Python,physics,phonons,inelastic neutron scattering,CASTEP,Phonopy,force constants
License: GPLv3
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: C
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Physics
Project-URL: Homepage, https://github.com/pace-neutrons/Euphonic
Project-URL: Repository, https://github.com/pace-neutrons/Euphonic.git
Project-URL: Bug Tracker, https://github.com/pace-neutrons/Euphonic/issues
Project-URL: documentation, https://euphonic.readthedocs.io/en/stable/
Requires-Python: >=3.10
Requires-Dist: packaging
Requires-Dist: numpy>=1.24.0
Requires-Dist: scipy>=1.10
Requires-Dist: seekpath>=1.1.0
Requires-Dist: spglib>=2.1.0
Requires-Dist: pint>=0.22
Requires-Dist: threadpoolctl>=3.0.0
Requires-Dist: toolz>=0.12.1
Provides-Extra: matplotlib
Requires-Dist: matplotlib>=3.8.0; extra == "matplotlib"
Provides-Extra: phonopy-reader
Requires-Dist: h5py>=3.6.0; extra == "phonopy-reader"
Requires-Dist: PyYAML>=6.0; extra == "phonopy-reader"
Provides-Extra: phonopy-reader
Requires-Dist: h5py>=3.6.0; extra == "phonopy-reader"
Requires-Dist: PyYAML>=6.0; extra == "phonopy-reader"
Provides-Extra: brille
Requires-Dist: brille>=0.7.0; extra == "brille"
Provides-Extra: test
Requires-Dist: mock; extra == "test"
Requires-Dist: pytest<9.0,>=8.0; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: pytest-mock; extra == "test"
Requires-Dist: pytest-lazy-fixtures; extra == "test"
Requires-Dist: pytest-xdist; extra == "test"
Requires-Dist: pytest-xvfb; extra == "test"
Requires-Dist: python-slugify; extra == "test"
Provides-Extra: ci
Requires-Dist: tox==4.30.3; extra == "ci"
Description-Content-Type: text/x-rst

========
Euphonic
========

|PyPI Version| |Conda Version| |Documentation Status| |Tests| |License| |DOI|

.. |PyPI Version| image:: https://img.shields.io/pypi/v/euphonic
   :target: https://pypi.org/project/euphonic/
   :alt: PyPI Version

.. |Conda Version| image:: https://img.shields.io/conda/vn/conda-forge/euphonic
   :target: https://anaconda.org/conda-forge/euphonic
   :alt: Conda Version

.. |Documentation Status| image:: https://readthedocs.org/projects/euphonic/badge/?version=stable
   :target: https://euphonic.readthedocs.io/en/stable/
   :alt: Documentation Status

.. |Tests| image:: https://github.com/pace-neutrons/Euphonic/actions/workflows/run_tests.yml/badge.svg
   :target: https://github.com/pace-neutrons/Euphonic/actions/workflows/run_tests.yml
   :alt: Tests

.. |License| image:: https://img.shields.io/pypi/l/euphonic
   :target: https://github.com/pace-neutrons/Euphonic/blob/master/LICENSE
   :alt: License

.. |DOI| image:: https://img.shields.io/badge/DOI-10.1107%2FS1600576722009256-blue
   :target: https://doi.org/10.1107/S1600576722009256
   :alt: Paper DOI

Euphonic is a Python package that can efficiently calculate phonon
bandstructures, density of states and inelastic neutron scattering
intensities from force constants. The force constants can be read
from various sources, including CASTEP ``.castep_bin`` files, or Phonopy
``phonopy.yaml`` files. While Euphonic is primarily a library, multiple
command-line tools are also provided for convenient plotting of the above
quantities.

For more information, see the `docs <http://euphonic.readthedocs.io/en/latest/>`_.
