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This repository consists of the numerical code for mixed-space cluster expansion for the following manuscript: K. Wang, D. Cheng, B.-C. Zhou. Generalization of the mixed space cluster expansion method for arbitrary lattices. npj Computational Materials, Under review. Please send any comments to Dr. Kang Wang (wangk0516@gmail.com) and Prof. Bi-Cheng Zhou (bicheng.zhou@virginia.edu). The code is written in Python scripts and tested in Anaconda environment. It will be updated in the future.
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The mixed-space cluster expansion method for configurational thermodynamics
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