https://github.com/sandialabs/ufjc
The Python package for the uFJC single-chain model.
https://github.com/sandialabs/ufjc
polymers python scr-2754 snl-applications statistical-mechanics thermodynamics
Last synced: 5 months ago
JSON representation
The Python package for the uFJC single-chain model.
- Host: GitHub
- URL: https://github.com/sandialabs/ufjc
- Owner: sandialabs
- License: bsd-3-clause
- Created: 2022-02-14T16:26:22.000Z (over 4 years ago)
- Default Branch: main
- Last Pushed: 2025-08-20T03:06:50.000Z (10 months ago)
- Last Synced: 2025-08-20T05:33:11.585Z (10 months ago)
- Topics: polymers, python, scr-2754, snl-applications, statistical-mechanics, thermodynamics
- Language: Python
- Homepage: https://sandialabs.github.io/uFJC
- Size: 114 MB
- Stars: 1
- Watchers: 4
- Forks: 2
- Open Issues: 0
-
Metadata Files:
- Readme: README.rst
- Contributing: docs/CONTRIBUTING.rst
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
- Citation: CITATION.cff
Awesome Lists containing this project
README
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uFJC
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|build| |docs| |codecov| |coveralls| |codefactor| |pyversions| |pypi| |conda| |docker| |license| |zenodo|
The Python package for the uFJC single-chain model.
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Installation
************
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@
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
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Information
***********
- `Contributing `__
- `Documentation `__
- `Examples `__
- `License `__
- `Releases `__
- `Repository `__
- `Tutorial `__
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Citation
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\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) `_.
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Copyright
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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.
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