Species¶

pydantic model atomate2.aims.schemas.task.Species[source]¶

A representation of the most important information about each type of species.

Parameters:

element (str) – Element assigned to this atom kind
species_defaults (str) – Basis set for this atom kind

field element: str = None¶: Element assigned to this atom kind

field species_defaults: str = None¶: Basis set for this atom kind