BoysLocalizer

class psi4.core.BoysLocalizer

Bases: psi4.core.Localizer

Performs Boys orbital localization

Attributes Summary

L

Localized orbital coefficients

U

Orbital rotation matrix

converged

Did the localization procedure converge?

Methods Summary

build(arg0, arg1, arg2)

Build the localization scheme

localize(self)

Perform the localization procedure

Attributes Documentation

L

Localized orbital coefficients

U

Orbital rotation matrix

converged

Did the localization procedure converge?

Methods Documentation

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

Build the localization scheme

localize(self: psi4.core.Localizer) None

Perform the localization procedure