UnitCellPlus Class Reference

#include <unitcell_plus.h>

Inheritance diagram for UnitCellPlus:

Collaboration diagram for UnitCellPlus:

Public Member Functions
	UnitCellPlus ()=default
	~UnitCellPlus ()=default
double	get_lat0 () const override
double	get_omega () const override
const ModuleBase::Matrix3 &	get_latvec () const override
int	get_natom () const override
int	get_na (int i) const override
int	get_ntype () const override
ModuleBase::Vector3< double >	get_tauu (int i, int j) const override
void	compute_naa ()
Public Member Functions inherited from IAtomProvider
virtual	~IAtomProvider ()=default

Public Attributes
double	lat0
double	omega
int	nat
std::vector< int >	na
std::vector< int >	naa
int	ntype
ModuleBase::Matrix3	latvec
std::vector< ModuleBase::Vector3< double > >	tau

Constructor & Destructor Documentation

UnitCellPlus()

UnitCellPlus::UnitCellPlus ( )

default

~UnitCellPlus()

UnitCellPlus::~UnitCellPlus ( )

default

Member Function Documentation

compute_naa()

void UnitCellPlus::compute_naa ( )

inline

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get_lat0()

double UnitCellPlus::get_lat0 ( ) const

inlineoverridevirtual

Implements IAtomProvider.

get_latvec()

const ModuleBase::Matrix3 & UnitCellPlus::get_latvec ( ) const

inlineoverridevirtual

Implements IAtomProvider.

get_na()

int UnitCellPlus::get_na ( int  i ) const

inlineoverridevirtual

Implements IAtomProvider.

get_natom()

int UnitCellPlus::get_natom ( ) const

inlineoverridevirtual

Implements IAtomProvider.

get_ntype()

int UnitCellPlus::get_ntype ( ) const

inlineoverridevirtual

Implements IAtomProvider.

get_omega()

double UnitCellPlus::get_omega ( ) const

inlineoverridevirtual

Implements IAtomProvider.

get_tauu()

ModuleBase::Vector3< double > UnitCellPlus::get_tauu ( int  i, int  j  ) const

inlineoverridevirtual

Implements IAtomProvider.

Member Data Documentation

lat0

double UnitCellPlus::lat0

latvec

ModuleBase::Matrix3 UnitCellPlus::latvec

na

std::vector<int> UnitCellPlus::na

naa

std::vector<int> UnitCellPlus::naa

nat

int UnitCellPlus::nat

ntype

int UnitCellPlus::ntype

omega

double UnitCellPlus::omega

tau

std::vector<ModuleBase::Vector3<double> > UnitCellPlus::tau

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/module_neighlist/unitcell_plus.h