Lattice Struct Reference

info of lattice More...

#include <unitcell_data.h>

Collaboration diagram for Lattice:

Public Member Functions
	~Lattice ()

Public Attributes
std::string	Coordinate = "Direct"
std::string	latName = "none"
double	lat0 = 0.0
double	lat0_angstrom = 0.0
double	tpiba = 0.0
double	tpiba2 = 0.0
double	omega = 0.0
int *	lc = new int[3]
ModuleBase::Matrix3	latvec = ModuleBase::Matrix3()
ModuleBase::Vector3< double >	a1
ModuleBase::Vector3< double >	a2
ModuleBase::Vector3< double >	a3
ModuleBase::Vector3< double >	latcenter
ModuleBase::Matrix3	latvec_supercell = ModuleBase::Matrix3()
ModuleBase::Matrix3	G = ModuleBase::Matrix3()
ModuleBase::Matrix3	GT = ModuleBase::Matrix3()
ModuleBase::Matrix3	GGT = ModuleBase::Matrix3()
ModuleBase::Matrix3	invGGT = ModuleBase::Matrix3()

Detailed Description

info of lattice

Constructor & Destructor Documentation

~Lattice()

Lattice::~Lattice ( )

inline

Member Data Documentation

a1

ModuleBase::Vector3<double> Lattice::a1

a2

ModuleBase::Vector3<double> Lattice::a2

a3

ModuleBase::Vector3<double> Lattice::a3

Coordinate

std::string Lattice::Coordinate = "Direct"

G

ModuleBase::Matrix3 Lattice::G = ModuleBase::Matrix3()

GGT

ModuleBase::Matrix3 Lattice::GGT = ModuleBase::Matrix3()

GT

ModuleBase::Matrix3 Lattice::GT = ModuleBase::Matrix3()

invGGT

ModuleBase::Matrix3 Lattice::invGGT = ModuleBase::Matrix3()

lat0

double Lattice::lat0 = 0.0

lat0_angstrom

double Lattice::lat0_angstrom = 0.0

latcenter

ModuleBase::Vector3<double> Lattice::latcenter

latName

std::string Lattice::latName = "none"

latvec

ModuleBase::Matrix3 Lattice::latvec = ModuleBase::Matrix3()

latvec_supercell

ModuleBase::Matrix3 Lattice::latvec_supercell = ModuleBase::Matrix3()

lc

int* Lattice::lc = new int[3]

omega

double Lattice::omega = 0.0

tpiba

double Lattice::tpiba = 0.0

tpiba2

double Lattice::tpiba2 = 0.0

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

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