madness::MacroTaskComputeCorrelationEnergy Class Reference

#include <CCStructures.h>

Inheritance diagram for madness::MacroTaskComputeCorrelationEnergy:

Collaboration diagram for madness::MacroTaskComputeCorrelationEnergy:

Public Types
typedef std::tuple< const std::vector< CCPair > &, const CC_vecfunction &, const Info & >	argtupleT
typedef std::vector< ScalarResult< double > >	resultT
	first vector is the potential, second is an intermediate (if applicable, e.g. for s2b and s2c potentials)

Public Member Functions
	MacroTaskComputeCorrelationEnergy ()
resultT	allocator (World &world, const argtupleT &argtuple) const
	allocate the result and set the name of this task
resultT	operator() (const std::vector< CCPair > &pairs, const CC_vecfunction &singles_gs, const Info &info) const
Public Member Functions inherited from madness::MacroTaskOperationBase
	MacroTaskOperationBase ()

Public Attributes
std::string	basename ="CorrelationEnergy"
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

typedef std::tuple< const std::vector<CCPair>&, const CC_vecfunction&, const Info& > madness::MacroTaskComputeCorrelationEnergy::argtupleT

resultT

typedef std::vector<ScalarResult<double> > madness::MacroTaskComputeCorrelationEnergy::resultT

first vector is the potential, second is an intermediate (if applicable, e.g. for s2b and s2c potentials)

Constructor & Destructor Documentation

MacroTaskComputeCorrelationEnergy()

madness::MacroTaskComputeCorrelationEnergy::MacroTaskComputeCorrelationEnergy ( )

inline

References madness::MacroTaskOperationBase::name.

Member Function Documentation

allocator()

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

inline

allocate the result and set the name of this task

References madness::nonlinear_vector_solver().

operator()()

std::vector< ScalarResult< double > > madness::MacroTaskComputeCorrelationEnergy::operator()	(	const std::vector< CCPair > &	pairs,
		const CC_vecfunction &	singles_gs,
		const Info &	info
	)		const

References madness::CT_CC2, madness::CT_MP2, function(), MADNESS_EXCEPTION, madness::nonlinear_vector_solver(), and madness::World::size().

Member Data Documentation

basename

std::string madness::MacroTaskComputeCorrelationEnergy::basename ="CorrelationEnergy"

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

• CCStructures.h
• CCStructures.cc