PyGRPY


NamePyGRPY JSON
Version 0.1.3 PyPI version JSON
download
home_pagehttps://github.com/RadostW/PyGRPY/
SummaryPython port of Generalized Rotne Prager Yakamava tensors
upload_time2024-01-14 17:39:26
maintainer
docs_urlNone
authorRadost Waszkiewicz
requires_python
licenseGNU GPLv3
keywords
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            ![Tests](https://github.com/RadostW/PyGRPY/actions/workflows/tests.yml/badge.svg)

# 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)



            

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