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

Documentation

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

Performs Rank Revealing QR localization (see Damle, A. et al., J. Chem. Theory Comput. 2015, 11 (4), 1463.)

Public Types
using	base_type = OrbitalLocalizer< Tile, Policy >

Public Member Functions
	RRQRLocalizer (const KeyVal &kv)
TA::DistArray< Tile, Policy >	compute (TA::DistArray< Tile, Policy > const &C_ta, size_t ncols_of_C_to_skip=0) const final

Public Attributes
math::Matrix< typename Tile::value_type >	S_

Member Typedef Documentation

base_type

template<typename Tile , typename Policy >

using mpqc::lcao::RRQRLocalizer< Tile, Policy >::base_type = OrbitalLocalizer<Tile, Policy>

Constructor & Destructor Documentation

RRQRLocalizer()

template<typename Tile , typename Policy >

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

explicit

KeyVal constructor for RRQRLocalizer

Parameters

kv	the KeyVal object

Member Function Documentation

compute()

template<typename Tile , typename Policy >

DistArray< Tile, Policy > mpqc::lcao::RRQRLocalizer< Tile, Policy >::compute ( TA::DistArray< Tile, Policy > const &  C_ta, size_t  ncols_of_C_to_skip = 0  ) const

final

Member Data Documentation

S_

template<typename Tile , typename Policy >

math::Matrix<typename Tile::value_type> mpqc::lcao::RRQRLocalizer< Tile, Policy >::S_

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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