Inheritance diagram for madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow:

Collaboration diagram for madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow:

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Classes
class	MacroTaskPartitionerRow
	custom partitioning for the exchange operator in exchangeoperator.h More...

Public Types
typedef std::tuple< const std::vector< Function< T, NDIM > > &, const std::vector< Function< T, NDIM > > &, const std::vector< Function< T, NDIM > > & >	argtupleT

using	resultT = std::vector< Function< T, NDIM > >

Public Member Functions
	MacroTaskExchangeRow (const long nresult, const double lo, const double mul_tol, const Algorithm algorithm)

resultT	allocator (World &world, const argtupleT &argtuple) const

std::vector< Function< T, NDIM > >	operator() (const std::vector< Function< T, NDIM > > &vket, const std::vector< Function< T, NDIM > > &mo_bra, const std::vector< Function< T, NDIM > > &mo_ket)
	compute exchange row-wise for a fixed orbital phi_i of vket

std::vector< Function< T, NDIM > >	row (const std::vector< Function< T, NDIM > > &vket, const std::vector< Function< T, NDIM > > &mo_bra, const std::vector< Function< T, NDIM > > &mo_ket)

std::vector< Function< T, NDIM > >	row_fetch_compute (const std::vector< Function< T, NDIM > > &vket, const std::vector< Function< T, NDIM > > &mo_bra, const std::vector< Function< T, NDIM > > &mo_ket)

Public Member Functions inherited from madness::MacroTaskOperationBase
	MacroTaskOperationBase ()

Private Attributes
Algorithm	algorithm_

double	lo = 1.e-4

double	mul_tol = 1.e-7

long	nresult

bool	symmetric = false

Additional Inherited Members
Public Attributes inherited from madness::MacroTaskOperationBase
Batch	batch

std::string	name ="unknown_task"

std::shared_ptr< MacroTaskPartitioner >	partitioner =0

World *	subworld_ptr =0

Member Typedef Documentation

◆ argtupleT

template<typename T , std::size_t NDIM>

typedef std::tuple<const std::vector<Function<T, NDIM> >&, const std::vector<Function<T, NDIM> >&, const std::vector<Function<T, NDIM> >&> madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::argtupleT

◆ resultT

template<typename T , std::size_t NDIM>

using madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::resultT = std::vector<Function<T, NDIM> >

Constructor & Destructor Documentation

◆ MacroTaskExchangeRow()

template<typename T , std::size_t NDIM>

madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::MacroTaskExchangeRow	(	const long	nresult,
		const double	lo,
		const double	mul_tol,
		const Algorithm	algorithm
	)

inline

References madness::name().

Member Function Documentation

◆ allocator()

template<typename T , std::size_t NDIM>

resultT madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::allocator	(	World &	world,
		const argtupleT &	argtuple
	)		const

inline

◆ operator()()

template<typename T , std::size_t NDIM>

std::vector< Function< T, NDIM > > madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::operator()	(	const std::vector< Function< T, NDIM > > &	vket,
		const std::vector< Function< T, NDIM > > &	mo_bra,
		const std::vector< Function< T, NDIM > > &	mo_ket
	)

inline

compute exchange row-wise for a fixed orbital phi_i of vket

create 2 worlds: one fetches the function coefficients from the universe, the other does the computation, then swap. The result is copied back to the universe

References MADNESS_EXCEPTION.

◆ row()

template<typename T , std::size_t NDIM>

std::vector< Function< T, NDIM > > madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::row	(	const std::vector< Function< T, NDIM > > &	vket,
		const std::vector< Function< T, NDIM > > &	mo_bra,
		const std::vector< Function< T, NDIM > > &	mo_ket
	)

inline

References apply(), cpu_time(), madness::dot(), lo, MADNESS_CHECK_THROW, madness::mul_sparse(), madness::World::size(), and truncate().

◆ row_fetch_compute()

template<typename T , std::size_t NDIM>

std::vector< Function< T, NDIM > > madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::row_fetch_compute	(	const std::vector< Function< T, NDIM > > &	vket,
		const std::vector< Function< T, NDIM > > &	mo_bra,
		const std::vector< Function< T, NDIM > > &	mo_ket
	)

inline

References apply(), SafeMPI::Intracomm::Clone(), copy(), cpu_time(), madness::dot(), f, madness::World::id(), lo, MADNESS_CHECK_THROW, madness::mul_sparse(), print(), truncate(), and madness::wall_time().

Member Data Documentation

◆ algorithm_

template<typename T , std::size_t NDIM>

Algorithm madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::algorithm_

private

◆ lo

template<typename T , std::size_t NDIM>

double madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::lo = 1.e-4

private

◆ mul_tol

template<typename T , std::size_t NDIM>

double madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::mul_tol = 1.e-7

private

◆ nresult

template<typename T , std::size_t NDIM>

long madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::nresult

private

◆ symmetric

template<typename T , std::size_t NDIM>

bool madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow::symmetric = false

private

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

exchangeoperator.h

Classes

Public Types

Public Member Functions

Private Attributes

Additional Inherited Members

Member Typedef Documentation

◆ argtupleT

◆ resultT

Constructor & Destructor Documentation

◆ MacroTaskExchangeRow()

Member Function Documentation

◆ allocator()

◆ operator()()

◆ row()

◆ row_fetch_compute()

Member Data Documentation

◆ algorithm_

◆ lo

◆ mul_tol

◆ nresult

◆ symmetric