madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeRow Class Reference

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

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

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

Private Attributes
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

Member Typedef Documentation

argtupleT

template<typename T , std::size_t NDIM>

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>

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>

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  )

inline

Member Function Documentation

allocator()

template<typename T , std::size_t NDIM>

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>

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

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

Member Data Documentation

lo

template<typename T , std::size_t NDIM>

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>

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>

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>

template<typename T , std::size_t NDIM>

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

private

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

• exchangeoperator.h