q3::PlanewavePseudopotential Class Reference

#include <init.hpp>

Inheritance diagram for q3::PlanewavePseudopotential:

Public Member Functions
	PlanewavePseudopotential (std::unique_ptr< Pseudopotential > pseudopotential)
virtual	~PlanewavePseudopotential ()=default
const Pseudopotential &	data () const
bool	has_augmentation_charges () const
PseudopotentialType	pseudopotential_type_enum () const

Protected Attributes
std::unique_ptr< Pseudopotential >	pseudopotential_

Detailed Description

Definition at line 24 of file init.hpp.

Constructor & Destructor Documentation

PlanewavePseudopotential()

q3::PlanewavePseudopotential::PlanewavePseudopotential ( std::unique_ptr< Pseudopotential >  pseudopotential )

inlineexplicit

Definition at line 26 of file init.hpp.

~PlanewavePseudopotential()

virtual q3::PlanewavePseudopotential::~PlanewavePseudopotential ( )

virtualdefault

Member Function Documentation

data()

const Pseudopotential & q3::PlanewavePseudopotential::data ( ) const

inline

Access the underlying basis-independent pseudopotential data.

Definition at line 34 of file init.hpp.

References pseudopotential_.

has_augmentation_charges()

bool q3::PlanewavePseudopotential::has_augmentation_charges ( ) const

inline

Whether this PP has augmentation charges.

Definition at line 48 of file init.hpp.

References pseudopotential_.

pseudopotential_type_enum()

PseudopotentialType q3::PlanewavePseudopotential::pseudopotential_type_enum ( ) const

inline

Return the type classification of the underlying pseudopotential.

Definition at line 41 of file init.hpp.

References pseudopotential_.

Member Data Documentation

pseudopotential_

std::unique_ptr<Pseudopotential> q3::PlanewavePseudopotential::pseudopotential_

protected

Definition at line 53 of file init.hpp.

Referenced by data(), has_augmentation_charges(), and pseudopotential_type_enum().

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

• src/layer_3_representation/pseudopotential/planewave/init.hpp