mpqc::lcao::gaussian::BasisData< ShellData > Class Template Reference

Public Member Functions
	BasisData ()=default
	BasisData (const std::shared_ptr< const Basis > &bs)
	BasisData (const Basis &bs)
const ShellData &	operator() (std::size_t shell_idx) const
const ShellData &	bf (std::size_t bf_idx) const
	returns ShellData for the given basis function More...

Constructor & Destructor Documentation

BasisData() [1/3]

template<typename ShellData >

mpqc::lcao::gaussian::BasisData< ShellData >::BasisData ( )

default

BasisData() [2/3]

template<typename ShellData >

mpqc::lcao::gaussian::BasisData< ShellData >::BasisData ( const std::shared_ptr< const Basis > &  bs )

inline

BasisData() [3/3]

template<typename ShellData >

mpqc::lcao::gaussian::BasisData< ShellData >::BasisData ( const Basis &  bs )

inline

Member Function Documentation

bf()

template<typename ShellData >

const ShellData& mpqc::lcao::gaussian::BasisData< ShellData >::bf ( std::size_t  bf_idx ) const

inline

returns ShellData for the given basis function

operator()()

template<typename ShellData >

const ShellData& mpqc::lcao::gaussian::BasisData< ShellData >::operator() ( std::size_t  shell_idx ) const

inline

returns ShellData for the given shell index

Parameters

[in]

shell_idx

a shell index

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

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