Skip to content

Latest commit

 

History

History
39 lines (25 loc) · 1.12 KB

README.md

File metadata and controls

39 lines (25 loc) · 1.12 KB
Raw

Tests

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)

@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)