cluster-expansion

There are 5 repositories under cluster-expansion topic.

CederGroupHub/smol
Statistical Mechanics on Lattices
Language:Python66 4 9515
CederGroupHub/WFacer
Modulated automation of cluster expansion based on atomate2 and Jobflow
Language:Python11 2 41
unkcpz/aiida-ce
AiiDA plugin for running cluster expansion using icet and ATAT.
Language:Python5 2 01
eunseok-lee/spin_atom_CE
C-code for cluster expansion on atomic-magnetic(spin)-coupled configuration
Language:C0 0 00
LinjianMa/Cluster-Expansion
Language:Python0 0