Are there any workflows currently implemented or under development for SQS or cluster expansions?
I am considering adding plugins for the Alloy Theoretic Automated Toolkit (ATAT) to Atomate. I think it would be useful for high-throughput workflows investigating mixing energies of solid solutions and learning rules for low-energy substitutions.
Link to ATAT:
It does not appear that packaging in Atomate violates licensing of ATAT: