Python port of Generalized Rotne Prager Yakamava tensors
Project description
PyGYPY
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
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)
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