get_inserted_structures

atomate2.common.jobs.electrode.get_inserted_structures(prev_dir, get_charge_density, inserted_species, insertions_per_step=4, charge_insertion_generator=None)

Get the inserted structures.

Parameters:

• prev_dir (The previous directory where the static calculation was performed.)

• get_charge_density (A function to get the charge density from a run directory.)

• 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.