get_inserted_structures¶

atomate2.common.jobs.electrode.get_inserted_structures(chg, inserted_species, insertions_per_step=4, charge_insertion_generator=None)[source]¶

Get the inserted structures.

Parameters:

chg (The charge density.)
inserted_species (The species to insert.)
insertions_per_step (The maximum number of ion insertion sites to attempt.)
charge_insertion_generator (The charge insertion generator to use,) – tolerances should be set here.

Return type:

The inserted structures.