ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
grid_meshcell.h
Go to the documentation of this file.
1#ifndef GRID_MESHCELL_H
2#define GRID_MESHCELL_H
6#include "grid_meshk.h"
9{
10 public:
13
15 int bx=1,by=1,bz=1,bxyz=1;
17 int nbxx;
19 // save the position of each meshcell.
20 std::vector<std::vector<double>> meshcell_pos;
21
22 private:
23 // latvec0 and GT are not used in current code.
24 // these two variables may be removed in the future.
27
28 protected:
29
30 std::vector<double> meshcell_vec1;
31 std::vector<double> meshcell_vec2;
32 std::vector<double> meshcell_vec3;
33
36
37 void set_grid_dim(
38 const int &ncx_in,
39 const int &ncy_in,
40 const int &ncz_in,
41 const int &bx_in,
42 const int &by_in,
43 const int &bz_in,
44 const int &nbx_in,
45 const int &nby_in,
46 const int &nbz_in,
47 const int &nbxx_in,
48 const int &nbzp_start_in,
49 const int &nbzp_in);
50
51 void init_latvec(const UnitCell &ucell);
52 void init_meshcell_pos();
53
54};
55
56#endif
Definition grid_meshcell.h:9
int ncz
Definition grid_meshcell.h:14
int nbxx
Definition grid_meshcell.h:17
Grid_MeshCell & operator=(Grid_MeshCell &&rhs)=default
move operator for the next ESolver to directly use its infomation
std::vector< double > meshcell_vec3
Definition grid_meshcell.h:32
std::vector< double > meshcell_vec2
Definition grid_meshcell.h:31
std::vector< double > meshcell_vec1
Definition grid_meshcell.h:30
int bx
Definition grid_meshcell.h:15
Grid_MeshCell()
Definition grid_meshcell.cpp:7
int nby
Definition grid_meshcell.h:16
int ncxyz
Definition grid_meshcell.h:14
ModuleBase::Matrix3 meshcell_latvec0
Definition grid_meshcell.h:25
int bxyz
Definition grid_meshcell.h:15
int nbx
Definition grid_meshcell.h:16
int by
Definition grid_meshcell.h:15
int nbxyz
Definition grid_meshcell.h:16
~Grid_MeshCell()
Definition grid_meshcell.cpp:11
ModuleBase::Matrix3 meshcell_GT
Definition grid_meshcell.h:26
std::vector< std::vector< double > > meshcell_pos
Definition grid_meshcell.h:20
int bz
Definition grid_meshcell.h:15
int nbzp_start
Definition grid_meshcell.h:18
int nbz
Definition grid_meshcell.h:16
int ncx
Definition grid_meshcell.h:14
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)
Definition grid_meshcell.cpp:15
void init_meshcell_pos()
Definition grid_meshcell.cpp:140
int nbzp
Definition grid_meshcell.h:18
void init_latvec(const UnitCell &ucell)
Definition grid_meshcell.cpp:69
int ncy
Definition grid_meshcell.h:14
Definition grid_meshk.h:8
3x3 matrix and related mathamatical operations
Definition matrix3.h:19
Definition unitcell.h:16