sirius::U_operator< T > Class Template Reference

Public Member Functions
	U_operator (Simulation_context const &ctx__, Hubbard_matrix const &um1__, std::array< double, 3 > vk__)
	~U_operator ()=default
auto	atomic_orbitals () const
auto	atomic_orbitals (const int idx__) const
auto	nhwf () const
auto	offset (int ia__) const
std::complex< T > const &	operator() (int m1, int m2, int j) const
std::complex< T > const *	at (sddk::memory_t mem__, const int idx1, const int idx2, const int idx3) const
int	find_orbital_index (const int ia__, const int n__, const int l__) const

Private Attributes
Simulation_context const &	ctx_
std::array< la::dmatrix< std::complex< T > >, 4 >	um_
std::vector< int >	offset_
std::vector< std::pair< int, int > >	atomic_orbitals_
int	nhwf_
r3::vector< double >	vk_

Detailed Description

template<typename T>
class sirius::U_operator< T >

Definition at line 63 of file non_local_operator.hpp.

Constructor & Destructor Documentation

U_operator()

template<class T >

sirius::U_operator< T >::U_operator	(	Simulation_context const &	ctx__,
		Hubbard_matrix const &	um1__,
		std::array< double, 3 >	vk__
	)

Definition at line 6 of file s_u_operator.cpp.

Member Function Documentation

atomic_orbitals() [1/2]

template<typename T >

auto sirius::U_operator< T >::atomic_orbitals ( ) const

inline

Definition at line 78 of file non_local_operator.hpp.

atomic_orbitals() [2/2]

template<typename T >

auto sirius::U_operator< T >::atomic_orbitals ( const int  idx__ ) const

inline

Definition at line 83 of file non_local_operator.hpp.

nhwf()

template<typename T >

auto sirius::U_operator< T >::nhwf ( ) const

inline

Definition at line 87 of file non_local_operator.hpp.

offset()

template<typename T >

auto sirius::U_operator< T >::offset ( int  ia__ ) const

inline

Definition at line 92 of file non_local_operator.hpp.

operator()()

template<typename T >

std::complex< T > const & sirius::U_operator< T >::operator() ( int  m1, int  m2, int  j  ) const

inline

Definition at line 97 of file non_local_operator.hpp.

at()

template<typename T >

std::complex< T > const * sirius::U_operator< T >::at ( sddk::memory_t  mem__, const int  idx1, const int  idx2, const int  idx3  ) const

inline

Definition at line 102 of file non_local_operator.hpp.

find_orbital_index()

template<class T >

int sirius::U_operator< T >::find_orbital_index	(	const int	ia__,
		const int	n__,
		const int	l__
	)		const

Definition at line 78 of file s_u_operator.cpp.

Member Data Documentation

ctx_

template<typename T >

Simulation_context const& sirius::U_operator< T >::ctx_

private

Definition at line 66 of file non_local_operator.hpp.

um_

template<typename T >

std::array<la::dmatrix<std::complex<T> >, 4> sirius::U_operator< T >::um_

private

Definition at line 68 of file non_local_operator.hpp.

offset_

template<typename T >

std::vector<int> sirius::U_operator< T >::offset_

private

Definition at line 69 of file non_local_operator.hpp.

atomic_orbitals_

template<typename T >

std::vector<std::pair<int, int> > sirius::U_operator< T >::atomic_orbitals_

private

Definition at line 70 of file non_local_operator.hpp.

nhwf_

template<typename T >

int sirius::U_operator< T >::nhwf_

private

Definition at line 71 of file non_local_operator.hpp.

vk_

template<typename T >

r3::vector<double> sirius::U_operator< T >::vk_

private

Definition at line 72 of file non_local_operator.hpp.

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

• hamiltonian.hpp
• non_local_operator.hpp
• s_u_operator.cpp