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.