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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Public Attributes | Protected Member Functions | Protected Attributes | Private Attributes | List of all members
Grid_MeshCell Class Reference

#include <grid_meshcell.h>

Inheritance diagram for Grid_MeshCell:
Collaboration diagram for Grid_MeshCell:

Public Member Functions

 Grid_MeshCell ()
 
 ~Grid_MeshCell ()
 
- Public Member Functions inherited from Grid_MeshK
 Grid_MeshK ()
 
 ~Grid_MeshK ()
 
int cal_Rindex (const int &u1, const int &u2, const int &u3) const
 
ModuleBase::Vector3< int > get_ucell_coords (const int &Rindex) const
 
Grid_MeshKoperator= (Grid_MeshK &&rhs)=default
 move operator for the next ESolver to directly use its infomation
 

Public Attributes

int ncx
 
int ncy
 
int ncz
 
int ncxyz
 
int bx =1
 
int by =1
 
int bz =1
 
int bxyz =1
 
int nbx
 
int nby
 
int nbz
 
int nbxyz
 
int nbxx
 
int nbzp_start
 
int nbzp
 
std::vector< std::vector< double > > meshcell_pos
 

Protected Member Functions

Grid_MeshCelloperator= (Grid_MeshCell &&rhs)=default
 move operator for the next ESolver to directly use its infomation
 
void set_grid_dim (const int &ncx_in, const int &ncy_in, const int &ncz_in, const int &bx_in, const int &by_in, const int &bz_in, const int &nbx_in, const int &nby_in, const int &nbz_in, const int &nbxx_in, const int &nbzp_start_in, const int &nbzp_in)
 
void init_latvec (const UnitCell &ucell)
 
void init_meshcell_pos ()
 
- Protected Member Functions inherited from Grid_MeshK
void cal_extended_cell (const int &dxe, const int &dye, const int &dze, const int &nbx, const int &nby, const int &nbz)
 

Protected Attributes

std::vector< double > meshcell_vec1
 
std::vector< double > meshcell_vec2
 
std::vector< double > meshcell_vec3
 

Private Attributes

ModuleBase::Matrix3 meshcell_latvec0
 
ModuleBase::Matrix3 meshcell_GT
 

Constructor & Destructor Documentation

◆ Grid_MeshCell()

Grid_MeshCell::Grid_MeshCell ( )

◆ ~Grid_MeshCell()

Grid_MeshCell::~Grid_MeshCell ( )

Member Function Documentation

◆ init_latvec()

void Grid_MeshCell::init_latvec ( const UnitCell ucell)
protected
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◆ init_meshcell_pos()

void Grid_MeshCell::init_meshcell_pos ( void  )
protected
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◆ operator=()

Grid_MeshCell & Grid_MeshCell::operator= ( Grid_MeshCell &&  rhs)
protecteddefault

move operator for the next ESolver to directly use its infomation

◆ set_grid_dim()

void Grid_MeshCell::set_grid_dim ( const int &  ncx_in,
const int &  ncy_in,
const int &  ncz_in,
const int &  bx_in,
const int &  by_in,
const int &  bz_in,
const int &  nbx_in,
const int &  nby_in,
const int &  nbz_in,
const int &  nbxx_in,
const int &  nbzp_start_in,
const int &  nbzp_in 
)
protected
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Member Data Documentation

◆ bx

int Grid_MeshCell::bx =1

◆ bxyz

int Grid_MeshCell::bxyz =1

◆ by

int Grid_MeshCell::by =1

◆ bz

int Grid_MeshCell::bz =1

◆ meshcell_GT

ModuleBase::Matrix3 Grid_MeshCell::meshcell_GT
private

◆ meshcell_latvec0

ModuleBase::Matrix3 Grid_MeshCell::meshcell_latvec0
private

◆ meshcell_pos

std::vector<std::vector<double> > Grid_MeshCell::meshcell_pos

◆ meshcell_vec1

std::vector<double> Grid_MeshCell::meshcell_vec1
protected

◆ meshcell_vec2

std::vector<double> Grid_MeshCell::meshcell_vec2
protected

◆ meshcell_vec3

std::vector<double> Grid_MeshCell::meshcell_vec3
protected

◆ nbx

int Grid_MeshCell::nbx

◆ nbxx

int Grid_MeshCell::nbxx

◆ nbxyz

int Grid_MeshCell::nbxyz

◆ nby

int Grid_MeshCell::nby

◆ nbz

int Grid_MeshCell::nbz

◆ nbzp

int Grid_MeshCell::nbzp

◆ nbzp_start

int Grid_MeshCell::nbzp_start

◆ ncx

int Grid_MeshCell::ncx

◆ ncxyz

int Grid_MeshCell::ncxyz

◆ ncy

int Grid_MeshCell::ncy

◆ ncz

int Grid_MeshCell::ncz

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