otter.StateExportOptions

class otter.StateExportOptions(r_max_bohr: float = 20.0, k_max_bohr_inv: float = 20.0, require_converged_hnc: bool = True, compressed: bool = True, include_electronic_profiles: bool = True, include_orbital_densities: bool = True)[source]

Bases: object

Controls for one portable state export.

Methods

__init__([r_max_bohr, k_max_bohr_inv, ...])

Attributes

compressed
include_electronic_profiles
include_orbital_densities
k_max_bohr_inv
r_max_bohr
require_converged_hnc

Examples using `StateExportOptions`

Al: complete electronic-to-ionic workflow

Al: complete electronic-to-ionic workflow

Al: elastic Rayleigh weight versus density

Al: elastic Rayleigh weight versus density