tensor cluster expansion library for solid solution modeling
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tce-lib
🔎 What is tce-lib?
tce-lib is a library for creating and deploying tensor cluster expansion models of concentrated alloys following
our work on arXiv. The core philosophy of tce-lib is to respect the
strategy pattern as core to the library's functionality. This design
pattern stages workflows as sequences of strategies, of which the user can override each. This allows for the majority
of users to plug-and-play for an ordinary workflow, while still supporting fine-grained autonomy for more advanced
users.
📩 Installation
tce-lib is installable via the Python Package Index:
pip install tce-lib
or, from source:
git clone https://github.com/MUEXLY/tce-lib
pip install -e tce-lib/
📌 Citation
Please cite our work here if you use tce-lib in your work.
💙 Acknowledgements
Authors acknowledge support from the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Science and Engineering Division under Award No. DE-SC0022980.
🐝 Found a bug?
Please open an issue here, with a description of the issue and a minimal, reproducible example of the issue.
📑 License
tce-lib is released under the MIT license.
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