mpqc::lcao::gaussian::BasisPairData< ShellPairData > Class Template Reference

Public Member Functions
	BasisPairData ()=default
	BasisPairData (const std::shared_ptr< const Basis > &bs0, const std::shared_ptr< const Basis > &bs1)
	BasisPairData (const Basis &bs0, const Basis &bs1)
const ShellPairData &	operator() (std::size_t shell_idx0, std::size_t shell_idx1) const
const ShellPairData &	bf (std::size_t bf_idx0, std::size_t bf_idx1) const

Constructor & Destructor Documentation

BasisPairData() [1/3]

template<typename ShellPairData >

mpqc::lcao::gaussian::BasisPairData< ShellPairData >::BasisPairData ( )

default

BasisPairData() [2/3]

template<typename ShellPairData >

mpqc::lcao::gaussian::BasisPairData< ShellPairData >::BasisPairData ( const std::shared_ptr< const Basis > &  bs0, const std::shared_ptr< const Basis > &  bs1  )

inline

BasisPairData() [3/3]

template<typename ShellPairData >

mpqc::lcao::gaussian::BasisPairData< ShellPairData >::BasisPairData ( const Basis &  bs0, const Basis &  bs1  )

inline

Member Function Documentation

bf()

template<typename ShellPairData >

const ShellPairData& mpqc::lcao::gaussian::BasisPairData< ShellPairData >::bf ( std::size_t  bf_idx0, std::size_t  bf_idx1  ) const

inline

returns ShellData for the given basis function index pair

Parameters

[in]	bf_idx0	basis function index into bs0
[in]	bf_idx1	basis function index into bs1

operator()()

template<typename ShellPairData >

const ShellPairData& mpqc::lcao::gaussian::BasisPairData< ShellPairData >::operator() ( std::size_t  shell_idx0, std::size_t  shell_idx1  ) const

inline

returns ShellData for the given shell index pair

Parameters

[in]	shell_idx0	shell index into bs0
[in]	shell_idx1	shell index into bs1

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

• mpqc/chemistry/qc/lcao/integrals/bases_data.h