Localizer

class psi4.core.Localizer

Bases: object

Class containing orbital localization procedures

Attributes Summary

L Localized orbital coefficients
U Orbital rotation matrix
converged Did the localization procedure converge?

Methods Summary

build((arg0: str, arg1: psi4.core.BasisSet, …) Build the localization scheme
localize((self: psi4.core.Localizer) -> None) Perform the localization procedure

Attributes Documentation

L

Localized orbital coefficients

U

Orbital rotation matrix

converged

Did the localization procedure converge?

Methods Documentation

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

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