THIS PACKAGE IS DEPRECATED. PLEASE USE THE POLYMERS MODELING LIBRARY.
The Python package for the uFJC single-chain model.
The package can be installed using pip via the Python Package Index (PyPI),
pip install ufjc
or using conda via the mrbuche channel on Anaconda,
conda install --channel mrbuche ufjc
Alternatively, a branch can be directly installed using
pip install git+https://github.com/sandialabs/ufjc.git@<branch-name>
or after cloning a branch and executing python setup.py install.
There are also Docker images available for use.
In all of these cases, a valid installation can be tested by running
python -m ufjc.tests
M. R. Buche and S. J. Grutzik, uFJC: the Python package for the uFJC single-chain model, Zenodo (2022).
M. R. Buche, M. N. Silberstein, and S. J. Grutzik, Freely jointed chain models with extensible links, Physical Review E 106, 024502 (2022).
Copyright 2022 National Technology & Engineering Solutions of Sandia, LLC (NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S. Government retains certain rights in this software.