Metadata-Version: 2.4
Name: radicalpy
Version: 0.9.4
Summary: RadicalPy: a toolbox for radical pair spin dynamics
Author-email: "Lewis M. Antill" <lewismantill@gmail.com>, Emil Vatai <emil.vatai@gmail.com>
Maintainer-email: Emil Vatai <emil.vatai@gmail.com>, "Lewis M. Antill" <lewismantill@gmail.com>
License: MIT
Project-URL: Homepage, https://github.com/Spin-Chemistry-Labs/radicalpy
Project-URL: Documentation, https://radicalpy.readthedocs.io/en/latest/
Project-URL: Source, https://github.com/Spin-Chemistry-Labs/radicalpy
Keywords: simulation,spin-dynamics,radical pairs
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: importlib_resources
Requires-Dist: matplotlib
Requires-Dist: numpy
Requires-Dist: pint
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: seaborn
Requires-Dist: sympy
Requires-Dist: tqdm
Requires-Dist: graphviz
Requires-Dist: dot2tex
Requires-Dist: rdkit
Requires-Dist: MDAnalysis
Dynamic: license-file

[![Documentation Status](https://readthedocs.org/projects/radicalpy/badge/?version=latest)](https://radicalpy.readthedocs.io/en/latest/?badge=latest)

# IMPORTANT NOTICE

MANUAL INTERVENTION REQUIRED. We had some large files in the GitHub history, and to delete them, we needed to do a `git push --force`. As a consequence, if you've cloned the repo, and try `git pull`, you'll get an error about divergent branches (or something similar). What you need to do is:

```
git fetch --all       # download the repo with full history from github
git reset origin/main # or origin/<THE_BRANCH_YOU'RE_ON>
```

Git will reset your local history, to match the force-pushed history from GitHub.

**OR IF YOU'RE NOT SURE YOU CAN ALWAYS DELETE AND CLONE AGAIN!**

# RadicalPy: a toolbox for radical pair spin dynamics

RadicalPy in an intuitive (object-oriented) open-source Python
framework specific to radical pair spin dynamics.

To get started take a look at the [quick start
guide](https://github.com/Spin-Chemistry-Labs/radicalpy/tree/main/docs/quick-start/guide.org)
or the
[examples](https://github.com/Spin-Chemistry-Labs/radicalpy/tree/main/examples).

The package is under constant development. [documentation](https://radicalpy.readthedocs.io/) is
sparse, testing partial.

If you would like to contact us, please visit the Spin Chemistry Community [Discord server](https://discord.gg/NZdjhFS3Es).

## Installation

Install simply using `pip`:

```
pip install radicalpy
```
