Published July 29, 2025
| Version 3.1
Software
Open
icet — A Pythonic approach to cluster expansions
Authors/Creators
- 1. Chalmers University of Technology
- 2. Data Management and Software Centre European Spallation Source
Description
icet is a tool for the construction and sampling of alloy cluster expansions. It is written in Python, which enables easy integration with many first-principles codes and analysis tools accessible from Python, and allows for a simple and intuitive user interface. All computationally demanding parts are written in C++ ensuring performance while maintaining portability.
Files
icet-3.1.zip
Files
(5.4 MB)
| Name | Size | Download all |
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md5:6b34e1393e1e11be52db6690e46da0ba
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5.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://gitlab.com/materials-modeling/icet/-/releases/3.0 (URL)
- Is supplemented by
- Software documentation: https://icet.materialsmodeling.org (URL)
Software
- Repository URL
- https://gitlab.com/materials-modeling/icet
- Programming language
- Python , C++ , Jupyter Notebook
- Development Status
- Active