mpqc::lcao::PMLocalizer< Tile, Policy > Class Template Reference

Documentation

template<typename Tile, typename Policy>
class mpqc::lcao::PMLocalizer< Tile, Policy >

Performs Pipek-Mezey localization.

Public Types
using	base_type = JacobiOrbitalLocalizer< Tile, Policy, detail::PMOrbitalSpreadMinimizer >

Public Member Functions
	PMLocalizer (const KeyVal &kv)

Member Typedef Documentation

base_type

template<typename Tile , typename Policy >

using mpqc::lcao::PMLocalizer< Tile, Policy >::base_type = JacobiOrbitalLocalizer<Tile, Policy, detail::PMOrbitalSpreadMinimizer>

Constructor & Destructor Documentation

PMLocalizer()

template<typename Tile , typename Policy >

mpqc::lcao::PMLocalizer< Tile, Policy >::PMLocalizer ( const KeyVal &  kv )

explicit

KeyVal constructor for PMLocalizer

Parameters

kv	the KeyVal object; it will be queried for all keywords of JacobiOrbitalLocalizer and the following additional keywords: Keyword Type Default Description spread_exponent int 4 an integer specifying the exponent of spread quantity in the spread functional; currently supported values are 2 and 4

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The documentation for this class was generated from the following files:

• mpqc/chemistry/qc/lcao/scf/fwd.h
• mpqc/chemistry/qc/lcao/scf/orbital_localization.ipp