Provides an abstract base class for orbital localization methods. More...

Data Types
type	tblite_wavefunction_localization_type::localization_type
	Abstract base class for wavefunction orbital localization methods. More...
interface	tblite_wavefunction_localization_type::prepare
	Prepare the localization objective to be maximized by the optimizer. More...

Modules
module	tblite_wavefunction_localization_type
	Declaration of the abstract orbital localization method.

Functions/Subroutines
subroutine, public	tblite_wavefunction_localization_type::get_common_origin_position (mol, bas, overlap, dipole, position)
	Construct the Cartesian position operators in a common origin.
subroutine, public	tblite_wavefunction_localization_type::get_orbital_centers (mol, bas, overlap, dipole, coeff, nel, centers)
	Compute charge center position of each occupied orbital of a given coefficient set.
subroutine, public	tblite_wavefunction_localization_type::get_localization_id (name, id, error)
	Translate a localization method name to its integer identifier.

Variables
type(enum_localization_method), parameter, public	tblite_wavefunction_localization_type::localization_method = enum_localization_method()
	Actual enumerator for orbital localization methods.

Detailed Description

Provides an abstract base class for orbital localization methods.

Data Types