Skip to content
/ PyGRPY Public

Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.

License

Notifications You must be signed in to change notification settings

RadostW/PyGRPY

Repository files navigation

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; Sci-Post (submitted) (2022)

Zuk, P. J., B. Cichocki, and P. Szymczak GRPY - an accurate bead method for calculation of hydrodynamic properties of rigid biomacromolecules; Biophys. J. (submitted) (2017)