Metadata-Version: 2.1
Name: thermopot
Version: 1.0.0b1
Summary: Software for ab-initio thermodynamic modelling of material formation and decomposition.
Home-page: https://github.com/NU-CEM/ThermoPot
Author: NU-CEM
Author-email: l.whalley@northumbria.ac.uk
Project-URL: Bug Tracker, https://github.com/NU-CEM/ThermoPot/issues
Keywords: materials science,physics,chemistry
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Description-Content-Type: text/markdown
Provides-Extra: tests
Provides-Extra: dev


<img src="https://user-images.githubusercontent.com/2452935/181300325-502f1791-51cf-4618-b00f-b90609d6e862.png" width="100">

ThermoPot: An ab-initio thermodynamic modelling package
============================

⚠️⚠️⚠️ This repository is still in development, and some functionality is untested. Use with caution, or wait until we fully test it! ⚠️⚠️⚠️

![example workflow](https://github.com/NU-CEM/ThermoPot/actions/workflows/build-docs.yml/badge.svg) ![example workflow](https://github.com/NU-CEM/ThermoPot/actions/workflows/run-tests.yml/badge.svg) ![example workflow](https://github.com/NU-CEM/ThermoPot/actions/workflows/lint-code.yml/badge.svg)

Software for ab-initio thermodynamic modelling of material formation and decomposition.

- 📚 The documentation is [here](https://NU-CEM.github.io/ThermoPot). 
- 🔄 This code is made available under the GNU General Public Licence (GPL) v3. See the LICENSE file for the full text.
- 🖊 If you use this package for your research please [cite accordingly](https://github.com/NU-CEM/ThermoPot/blob/main/citation.cff).

### Please note
This work adapts and extends a previous repository developed by [Adam Jackson](https://orcid.org/0000-0001-5272-6530): [Thermodynamic model of CZTS](http://dx.doi.org/10.5281/zenodo.57130). 






