CoulombIntegralsProvider Struct Reference

Collaboration diagram for CoulombIntegralsProvider:

Classes
struct	IndexRange

Public Types
enum	Distribution { SIMPLE , ROUND_ROBIN }

Public Member Functions
	CoulombIntegralsProvider (const libint2::BasisSet &shells_, const Operator op_, const Distribution d, const size_t maxElementsWrite_)
void	doRoundRobinDistribution ()
void	doSimpleDistribution ()
void	compute ()
void	computeHalfContract (size_t No, Tensor< double > *coeff)
std::vector< IndexRange >	getWriteRangesForShell (size_t i)
void	write (Tensor< double > *t)
void	readHalfContract (Tensor< double > *t)

Member Enumeration Documentation

Distribution

enum CoulombIntegralsProvider::Distribution

Enumerator
SIMPLE
ROUND_ROBIN

Constructor & Destructor Documentation

CoulombIntegralsProvider()

CoulombIntegralsProvider::CoulombIntegralsProvider ( const libint2::BasisSet &  shells_, const Operator  op_, const Distribution  d, const size_t  maxElementsWrite_  )

inline

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Member Function Documentation

compute()

void CoulombIntegralsProvider::compute ( )

inline

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computeHalfContract()

void CoulombIntegralsProvider::computeHalfContract ( size_t  No, Tensor< double > *  coeff  )

inline

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doRoundRobinDistribution()

void CoulombIntegralsProvider::doRoundRobinDistribution ( )

inline

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doSimpleDistribution()

void CoulombIntegralsProvider::doSimpleDistribution ( )

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getWriteRangesForShell()

std::vector< IndexRange > CoulombIntegralsProvider::getWriteRangesForShell ( size_t  i )

inline

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readHalfContract()

void CoulombIntegralsProvider::readHalfContract ( Tensor< double > *  t )

inline

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write()

void CoulombIntegralsProvider::write ( Tensor< double > *  t )

inline

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

• CoulombIntegralsFromGaussian.cxx