Cluster Expansion in Atomic Simulation Environment (CLEASE)

Cluster Expansion (CE) is a widely used method for studying the thermodynamic properties of disordered materials.
CLEASE is a cluster expansion code designed to be highly flexible and customizable, while offering a comprehensive suite of tools for building, fitting, and analyzing CE models.

Installation

A latest stable version of CLEASE can be installed using the following command

1pip install clease

Installation can also be done through condavia the conda-forgeproject:

1conda install -c conda-forge clease

Note: On Windows, we recommend installing CLEASE with conda, in order to simplify the compilation process.

Alternatively, you can install the latest development version of CLEASE by following the instructions in the README page.