radicalpy 1.0.5

RadicalPy: a toolbox for radical pair spin dynamics

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 or the examples.

The package is under constant development. documentation is up-to-date, testing partial.

If you would like to contact us, please visit the Spin Chemistry Community Discord server.

Installation

Install simply using pip:

pip install radicalpy

How to cite this software

If you used this software in your work, please cite our paper (see this bib file).

Reporting issues

If you find errors, bugs, omissions in the code or the documentation, or if you'd like to request a feature, or just have feedback on how we could improve things, please don't hesitate to contact us by creating an issue (pull requests are also welcome).

IMPORTANT NOTICE 2025-07-17

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!