The CLEASE App¶
Danger
This app is currently in early testing. It is not advised to use it outside of the Warren Lab.
About¶
As stated on the official webpage: The Cluster Expansion in Atomic Simulation Environment (CLEASE) is a software package that simplifies the intricate setup and construction process of cluster expansion (CE). It provides a comprehensive set of tools for defining CE parameters, generating training structures, fitting effective cluster interaction (ECI) values, and running Monte Carlo simulations.