sirius::PAW_field4D< T > Class Template Reference

PAW density and potential storage. More...

#include <paw_field4d.hpp>

Inherited by sirius::PAW_density< T >.

Public Member Functions
	PAW_field4D (std::string label__, Unit_cell const &uc__, bool is_global__)
	Constructor. More...
void	sync ()
void	zero (int ia__)
void	zero ()
auto &	ae_component (int i__)
auto const &	ae_component (int i__) const
auto &	ps_component (int i__)
auto const &	ps_component (int i__) const
auto const &	unit_cell () const

Private Member Functions
	PAW_field4D (PAW_field4D const &src__)=delete
PAW_field4D &	operator= (PAW_field4D const &src__)=delete

Private Attributes
Unit_cell const &	uc_
	Unit cell. More...
std::string	label_
	Text label of the field. More...
std::array< Spheric_function_set< T, paw_atom_index_t >, 4 >	ae_components_
	All-electron part. More...
std::array< Spheric_function_set< T, paw_atom_index_t >, 4 >	ps_components_
	Pseudo-potential part. More...

Friends
template<typename T_ >
T_	inner (PAW_field4D< T_ > const &x__, PAW_field4D< T_ > const &y__)

Detailed Description

template<typename T>
class sirius::PAW_field4D< T >

PAW density and potential storage.

In PAW density and potential are represented with two counterpart: all-electron (AE) and pseudo (PS)

Definition at line 35 of file paw_field4d.hpp.

Constructor & Destructor Documentation

PAW_field4D()

template<typename T >

sirius::PAW_field4D< T >::PAW_field4D ( std::string  label__, Unit_cell const &  uc__, bool  is_global__  )

inline

Constructor.

Definition at line 52 of file paw_field4d.hpp.

Member Function Documentation

sync()

template<typename T >

void sirius::PAW_field4D< T >::sync ( )

inline

Definition at line 70 of file paw_field4d.hpp.

zero() [1/2]

template<typename T >

void sirius::PAW_field4D< T >::zero ( int  ia__ )

inline

Definition at line 78 of file paw_field4d.hpp.

zero() [2/2]

template<typename T >

void sirius::PAW_field4D< T >::zero ( )

inline

Definition at line 86 of file paw_field4d.hpp.

ae_component() [1/2]

template<typename T >

auto & sirius::PAW_field4D< T >::ae_component ( int  i__ )

inline

Definition at line 94 of file paw_field4d.hpp.

ae_component() [2/2]

template<typename T >

auto const & sirius::PAW_field4D< T >::ae_component ( int  i__ ) const

inline

Definition at line 99 of file paw_field4d.hpp.

ps_component() [1/2]

template<typename T >

auto & sirius::PAW_field4D< T >::ps_component ( int  i__ )

inline

Definition at line 104 of file paw_field4d.hpp.

ps_component() [2/2]

template<typename T >

auto const & sirius::PAW_field4D< T >::ps_component ( int  i__ ) const

inline

Definition at line 109 of file paw_field4d.hpp.

unit_cell()

template<typename T >

auto const & sirius::PAW_field4D< T >::unit_cell ( ) const

inline

Definition at line 114 of file paw_field4d.hpp.

Member Data Documentation

uc_

template<typename T >

Unit_cell const& sirius::PAW_field4D< T >::uc_

private

Unit cell.

Definition at line 39 of file paw_field4d.hpp.

label_

template<typename T >

std::string sirius::PAW_field4D< T >::label_

private

Text label of the field.

Definition at line 41 of file paw_field4d.hpp.

ae_components_

template<typename T >

std::array<Spheric_function_set<T, paw_atom_index_t>, 4> sirius::PAW_field4D< T >::ae_components_

private

All-electron part.

Definition at line 43 of file paw_field4d.hpp.

ps_components_

template<typename T >

std::array<Spheric_function_set<T, paw_atom_index_t>, 4> sirius::PAW_field4D< T >::ps_components_

private

Pseudo-potential part.

Definition at line 45 of file paw_field4d.hpp.

---

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

• paw_field4d.hpp