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

Documentation

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

Computes new density and orbitals from a Fock matrix.

Public Types
using	array_type = TA::DistArray< Tile, Policy >
using	arrayvec_type = TA::DistArrayVector< Tile, Policy >

Public Member Functions
	DensityBuilder ()=default
	DensityBuilder (DensityBuilder const &)=default
	DensityBuilder (DensityBuilder &&)=default
DensityBuilder &	operator= (DensityBuilder const &)=default
DensityBuilder &	operator= (DensityBuilder &&)=default
virtual	~DensityBuilder ()
virtual std::pair< arrayvec_type, arrayvec_type >	operator() (arrayvec_type const &) const =0
virtual void	log_iter (std::ostream &os=ExEnv::out0()) const

Member Typedef Documentation

array_type

template<typename Tile , typename Policy >

using mpqc::lcao::DensityBuilder< Tile, Policy >::array_type = TA::DistArray<Tile, Policy>

arrayvec_type

template<typename Tile , typename Policy >

using mpqc::lcao::DensityBuilder< Tile, Policy >::arrayvec_type = TA::DistArrayVector<Tile, Policy>

Constructor & Destructor Documentation

DensityBuilder() [1/3]

template<typename Tile , typename Policy >

mpqc::lcao::DensityBuilder< Tile, Policy >::DensityBuilder ( )

default

DensityBuilder() [2/3]

template<typename Tile , typename Policy >

mpqc::lcao::DensityBuilder< Tile, Policy >::DensityBuilder ( DensityBuilder< Tile, Policy > const &  )

default

DensityBuilder() [3/3]

template<typename Tile , typename Policy >

mpqc::lcao::DensityBuilder< Tile, Policy >::DensityBuilder ( DensityBuilder< Tile, Policy > &&  )

default

~DensityBuilder()

template<typename Tile , typename Policy >

virtual mpqc::lcao::DensityBuilder< Tile, Policy >::~DensityBuilder ( )

inlinevirtual

Member Function Documentation

log_iter()

template<typename Tile , typename Policy >

virtual void mpqc::lcao::DensityBuilder< Tile, Policy >::log_iter ( std::ostream &  os = ExEnv::out0() ) const

inlinevirtual

Logs the iteration info (timings, etc.)

Parameters

os	the ostream for writing the iteration log

operator()()

template<typename Tile , typename Policy >

virtual std::pair<arrayvec_type, arrayvec_type> mpqc::lcao::DensityBuilder< Tile, Policy >::operator() ( arrayvec_type const &  ) const

pure virtual

operator=() [1/2]

template<typename Tile , typename Policy >

DensityBuilder& mpqc::lcao::DensityBuilder< Tile, Policy >::operator= ( DensityBuilder< Tile, Policy > &&  )

default

operator=() [2/2]

template<typename Tile , typename Policy >

DensityBuilder& mpqc::lcao::DensityBuilder< Tile, Policy >::operator= ( DensityBuilder< Tile, Policy > const &  )

default

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

• mpqc/chemistry/qc/lcao/scf/density_builder.h