Set composition fails for nested lattices

davidkleiven / CEMC

DEPRECATED: Monte Carlo package targeted at systems studied with the Cluster Expansion.

MIT License

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Set composition fails for nested lattices #28

Open davidkleiven opened 6 years ago

davidkleiven commented 6 years ago

It looks like the set composition function is going to fail for nested lattices, because it first sets all elements to the one with the highest count. If this atom is not allowed to be placed on all sites, the system is in an invalid state after this operation.