Metadata-Version: 2.4
Name: FRECKLL
Version: 0.0.1
Summary: Fast Disequilibrium chemistry
Project-URL: Homepage, https://ahmed-f-alrefaie.github.io/FRECKLL/
Project-URL: Repository, https://github.com/ahmed-f-alrefaie/FRECKLL
Project-URL: Documentation, https://ahmed-f-alrefaie.github.io/FRECKLL/
Author-email: "Ahmed F. Al-Refaie" <ahmed.al-refaie@ucl.ac.uk>
License-File: LICENSE
Keywords: python
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: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: <4.0,>=3.10
Requires-Dist: astropy>=5.3.2
Requires-Dist: h5py>=3.13.0
Requires-Dist: molmass>=2024.10.25
Requires-Dist: numba>=0.60.0
Requires-Dist: numpy>=2.0.2
Requires-Dist: scipy>=1.13.1
Provides-Extra: ace
Requires-Dist: acepython>=0.0.17; extra == 'ace'
Provides-Extra: plot
Requires-Dist: matplotlib>=3.9.4; extra == 'plot'
Provides-Extra: recommended
Requires-Dist: acepython>=0.0.17; extra == 'recommended'
Requires-Dist: matplotlib>=3.9.4; extra == 'recommended'
Description-Content-Type: text/markdown

# FRECKLL

[![Release](https://img.shields.io/github/v/release/ahmed-f-alrefaie/freckll)](https://img.shields.io/github/v/release/ahmed-f-alrefaie/freckll)
[![Build status](https://img.shields.io/github/actions/workflow/status/ahmed-f-alrefaie/freckll/main.yml?branch=main)](https://github.com/ahmed-f-alrefaie/freckll/actions/workflows/main.yml?query=branch%3Amain)
[![codecov](https://codecov.io/gh/ahmed-f-alrefaie/freckll/branch/main/graph/badge.svg)](https://codecov.io/gh/ahmed-f-alrefaie/freckll)
[![Commit activity](https://img.shields.io/github/commit-activity/m/ahmed-f-alrefaie/freckll)](https://img.shields.io/github/commit-activity/m/ahmed-f-alrefaie/freckll)
[![License](https://img.shields.io/github/license/ahmed-f-alrefaie/freckll)](https://img.shields.io/github/license/ahmed-f-alrefaie/freckll)

Fast Disequilibrium chemistry

- **Github repository**: <https://github.com/ahmed-f-alrefaie/freckll/>
- **Documentation** <https://ahmed-f-alrefaie.github.io/freckll/>

## Test case

```bash
cd freckll
pip install .
```

```bash
cd freckll/examples/inputs

python -m freckll.main -i hd209458_full.yml -o result_full.h5 --overwrite --plot
```
