mpqc::lcao::gaussian::utility Namespace Reference

Typedefs
using	Shell = Basis::Shell
using	ShellVec = std::vector< Shell >
template<typename E >
using	ShrPool = std::shared_ptr< mpqc::utility::TSPool< E > >
template<unsigned long N>
using	BasisRefArray = std::array< std::reference_wrapper< const Basis >, N >
template<unsigned long N>
using	BasisShrArray = std::array< std::shared_ptr< const Basis >, N >
using	BasisRefVector = std::vector< std::reference_wrapper< const Basis > >
using	BasisShrVector = std::vector< std::shared_ptr< const Basis > >
template<typename T >
using	OrdTileVec = std::vector< std::pair< unsigned long, T > >
template<unsigned long N>
using	ShellVecPtrArray = std::array< ShellVec const *, N >

Functions
template<typename Bases >
BasisShrVector	to_basis_shr_vector (Bases &&bases)
template<typename Bases >
BasisRefVector	to_basis_ref_vector (Bases &&bases)
template<typename BS >
const Basis &	to_basis_ref (BS &&bs)
template<typename Bases >
TA::TiledRange	make_trange (Bases &&bases)
template<typename Tile , typename Array >
void	set_array (std::vector< std::pair< unsigned long, Tile >> &tiles, Array &a)
template<typename Tile , typename Policy >
void	set_array (std::vector< std::pair< unsigned long, Tile >> &tiles, TiledArray::DistArrayVector< Tile, Policy > &a)

Typedef Documentation

BasisRefArray

template<unsigned long N>

using mpqc::lcao::gaussian::utility::BasisRefArray = typedef std::array<std::reference_wrapper<const Basis>, N>

BasisRefVector

using mpqc::lcao::gaussian::utility::BasisRefVector = typedef std::vector<std::reference_wrapper<const Basis> >

BasisShrArray

template<unsigned long N>

using mpqc::lcao::gaussian::utility::BasisShrArray = typedef std::array<std::shared_ptr<const Basis>, N>

BasisShrVector

using mpqc::lcao::gaussian::utility::BasisShrVector = typedef std::vector<std::shared_ptr<const Basis> >

OrdTileVec

template<typename T >

using mpqc::lcao::gaussian::utility::OrdTileVec = typedef std::vector<std::pair<unsigned long, T> >

Shell

using mpqc::lcao::gaussian::utility::Shell = typedef Basis::Shell

ShellVec

using mpqc::lcao::gaussian::utility::ShellVec = typedef std::vector<Shell>

ShellVecPtrArray

template<unsigned long N>

using mpqc::lcao::gaussian::utility::ShellVecPtrArray = typedef std::array<ShellVec const *, N>

ShrPool

template<typename E >

using mpqc::lcao::gaussian::utility::ShrPool = typedef std::shared_ptr<mpqc::utility::TSPool<E> >

Function Documentation

make_trange()

template<typename Bases >

TA::TiledRange mpqc::lcao::gaussian::utility::make_trange

(

Bases &&

bases

)

Creates a TA::TiledRange from a sequence of Basis objects

Template Parameters

Bases

type representing a directly-addressable sequence of Basis (or std::reference_wrapper's) objects

Parameters

bases

a reference to Bases

Returns

a TA::TiledRange obtained as a Cartesian product of tilings of 1-d tilings obtained by Basis::make_trange1() for each Basis in bases

set_array() [1/2]

template<typename Tile , typename Array >

void mpqc::lcao::gaussian::utility::set_array	(	std::vector< std::pair< unsigned long, Tile >> &	tiles,
		Array &	a
	)

set_array() [2/2]

template<typename Tile , typename Policy >

void mpqc::lcao::gaussian::utility::set_array	(	std::vector< std::pair< unsigned long, Tile >> &	tiles,
		TiledArray::DistArrayVector< Tile, Policy > &	a
	)

to_basis_ref()

template<typename BS >

const Basis& mpqc::lcao::gaussian::utility::to_basis_ref

(

BS &&

bs

)

to_basis_ref_vector()

template<typename Bases >

BasisRefVector mpqc::lcao::gaussian::utility::to_basis_ref_vector ( Bases &&  bases )

inline

Converts a range of (const) Basis objects (possibly wrapped into std::reference_wrapper or std::shared_ptr) to a vector of std::reference_wrapper's to const Basis objects

Template Parameters

Bases

a range of const Basis (or std::reference_wrapper<const Basis>, or std::shared_ptr<const Basis>) type

Parameters

bases

the input range

Returns

a vector of std::reference_wrapper<const Basis> objects

to_basis_shr_vector()

template<typename Bases >

BasisShrVector mpqc::lcao::gaussian::utility::to_basis_shr_vector ( Bases &&  bases )

inline

Converts a range of (const) Basis objects (possibly wrapped into std::reference_wrapper or std::shared_ptr) to a vector of std::shared_ptr's to const Basis objects

Template Parameters

Bases

a range of const Basis (or std::reference_wrapper<const Basis>, or std::shared_ptr<const Basis>) type

Parameters

bases

the input range

Returns

a vector of std::shared_ptr<const Basis> objects