BoysLocalizer

class psi4.core.BoysLocalizer

Bases: psi4.core.Localizer

Performs Boys orbital localization

L

Localized orbital coefficients

U

Orbital rotation matrix

build(arg0: str, arg1: psi4.core.BasisSet, arg2: psi4.core.Matrix) → psi4.core.Localizer

Build the localization scheme

converged

Did the localization procedure converge?

localize(self: psi4.core.Localizer) → None

Perform the localization procedure