atomate2.common.jobs.electrode

Jobs for electrode analysis.

Functions

get_charge_density_job	Get the charge density from a task document.
get_computed_entries	Add a single new entry to a list of entries.
get_inserted_structures	Get the inserted structures.
get_insertion_electrode_doc	Return a InsertionElectrodeDoc.
get_min_energy_summary	Get the structure with the lowest energy.
get_relaxed_job_summaries	Spawn relaxation jobs.
get_stable_inserted_results	Attempt ion insertion.
get_structure_group_doc	Take in ComputedEntry and return a StructureGroupDoc.

Classes

RelaxJobSummary	A summary of a relaxation job.
TYPE_CHECKING	bool(x) -> bool