remove_artificial_disorder

emmet.core.connectors.analysis.remove_artificial_disorder(structures, in_place=True)

Remove artificial disorder from a structure.

Some of the ICSD CIFs are disordered in oxidation states only. Because these are assigned by hand and don’t reflect actual chemical or configurational disorder, we remove this artificial disorder here.

Return type:

list[Structure]

Parameters:

• structures (list[Structure])

• in_place (bool)

Parameters

structures : list of Structure in_place : bool = True

Whether to modify `Structure`s in place

Returns

list of Structure