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Python port of Generalized Rotne Prager Yakamawa hydrodynamic tensors.

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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

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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