Basis Set Schema

A full description of the basis set.

Required Keys

The following properties are required for a basis set.

Key Name Description Field Type
center_data Shared basis data for all atoms/centers in the molecule object
atom_map Mapping of all atoms/centers in the molecule to data in center_data array[string]
name Name of the basis set string

Optional Keys

The following keys are optional for the basis set specification.

Key Name Description Field Type
schema_version No description provided. integer
schema_name No description provided. string
description Brief description of the basis set string