madness::MacroTaskConstantPart Class Reference

#include <CCStructures.h>

Inheritance diagram for madness::MacroTaskConstantPart:

Collaboration diagram for madness::MacroTaskConstantPart:

Classes
class	ConstantPartPartitioner

Public Types
typedef std::tuple< const std::vector< CCPair > &, const std::vector< Function< double, 3 > > &, const std::vector< Function< double, 3 > > &, const madness::Info & >	argtupleT
using	resultT = std::vector< real_function_6d >

Public Member Functions
	MacroTaskConstantPart ()
resultT	allocator (World &world, const argtupleT &argtuple) const
resultT	operator() (const std::vector< CCPair > &pair, const std::vector< Function< double, 3 >> &gs_singles, const std::vector< Function< double, 3 >> &ex_singles, const Info &info) const
Public Member Functions inherited from madness::MacroTaskOperationBase
	MacroTaskOperationBase ()

Additional Inherited Members
Public Attributes inherited from madness::MacroTaskOperationBase
Batch	batch
std::string	name ="unknown_task"
std::shared_ptr< MacroTaskPartitioner >	partitioner =0

Detailed Description

compute the "constant" part of MP2, CC2, or LR-CC2

the constant part is result = G [F,f] |ij> for MP2 result = G [F,f] |t_i t_j> for CC2 result = G [F,f] |t_i x_j> + |x_i t_j> for LR-CC2

Member Typedef Documentation

argtupleT

typedef std::tuple<const std::vector<CCPair>&, const std::vector<Function<double,3> >&, const std::vector<Function<double,3> >&, const madness::Info&> madness::MacroTaskConstantPart::argtupleT

resultT

using madness::MacroTaskConstantPart::resultT = std::vector<real_function_6d>

Constructor & Destructor Documentation

MacroTaskConstantPart()

madness::MacroTaskConstantPart::MacroTaskConstantPart ( )

inline

References madness::MacroTaskOperationBase::name, and madness::MacroTaskOperationBase::partitioner.

Member Function Documentation

allocator()

resultT madness::MacroTaskConstantPart::allocator ( World &  world, const argtupleT &  argtuple  ) const

inline

operator()()

std::vector< real_function_6d > madness::MacroTaskConstantPart::operator()	(	const std::vector< CCPair > &	pair,
		const std::vector< Function< double, 3 >> &	gs_singles,
		const std::vector< Function< double, 3 >> &	ex_singles,
		const Info &	info
	)		const

References madness::CCParameters::freeze(), madness::Info::mo_ket, madness::Info::parameters, madness::PARTICLE, madness::RESPONSE, and madness::World::size().

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

• CCStructures.h
• CCStructures.cc