pygrpy 0.1.5

Python port of Generalized Rotne Prager Yakamava tensors

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)

https://scipost.org/SciPostPhysCodeb.11

@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)