Metadata-Version: 2.1
Name: PyGRPY
Version: 0.1.4
Summary: Python port of Generalized Rotne Prager Yakamava tensors
Home-page: https://github.com/RadostW/PyGRPY/
Author: Radost Waszkiewicz
Author-email: radost.waszkiewicz@gmail.com
License: GPL-3.0-or-later
Project-URL: Documentation, https://pygrpy.readthedocs.io
Project-URL: Source, https://github.com/RadostW/PyGRPY/
Platform: UNKNOWN
Description-Content-Type: text/markdown
License-File: LICENSE

![Tests](https://github.com/RadostW/PyGRPY/actions/workflows/tests.yml/badge.svg)

# PyGRPY

Python port of Generalized Rotne Prager Yakamawa hydrodynamic tensors.

Now also supports jax, and jax.grad.


# Original code

Original code in Fortran90 by Pawel Jan Zuk here:
https://github.com/pjzuk/GRPY

# License

This software is licensed under GNU GPLv3

Copyright (c) Pawel Jan Zuk (2017) - unported code.

Copyright (c) Radost Waszkiewicz (2021) - python port.

# How to cite

Waszkiewicz, R., Bartczak M., Kolasa K. and Lisicki M. *Pychastic: Precise Brownian Dynamics using 
Taylor-Ito integrators in Python*; SciPost Physics Codebases (2023)

```bibtex
@article{Waszkiewicz_2023,
	title        = {Pychastic: Precise Brownian dynamics using Taylor-It{\=o} integrators in Python},
	author       = {Waszkiewicz, Radost and Bartczak, Maciej and Kolasa, Kamil and Lisicki, Maciej},
	year         = 2023,
	journal      = {SciPost Physics Codebases},
	pages        = {11}
}
```
**and**

Zuk, P. J., Cichocki, B. and Szymczak, P. *GRPY: an accurate bead method for calculation of hydrodynamic properties of rigid biomacromolecules*; Biophys. J. (2018)


