ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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neighbor_atom.h
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1#ifndef NEIGHBOR_ATOM_H
2#define NEIGHBOR_ATOM_H
3
4#include <vector>
5
7{
8public:
9 double position_x;
10 double position_y;
11 double position_z;
15 //bool isghost;
17
18 NeighborAtom(double x, double y, double z, int type, int index, int id)
19 : position_x(x), position_y(y), position_z(z),
20 atom_type(type), atom_index(index), atom_id(id) {}
21};
22
24{
25public:
26 std::vector<NeighborAtom> InputAtom;
29
31 : x_low(0), x_high(0), y_low(0), y_high(0), z_low(0), z_high(0), n_atoms(0) {}
32};
33
34#endif // NEIGHBOR_ATOM_H
Definition neighbor_atom.h:24
double x_low
Definition neighbor_atom.h:27
double z_high
Definition neighbor_atom.h:27
std::vector< NeighborAtom > InputAtom
Definition neighbor_atom.h:26
InputAtoms()
Definition neighbor_atom.h:30
double y_low
Definition neighbor_atom.h:27
double y_high
Definition neighbor_atom.h:27
double z_low
Definition neighbor_atom.h:27
double x_high
Definition neighbor_atom.h:27
int n_atoms
Definition neighbor_atom.h:28
Definition neighbor_atom.h:7
double position_x
Definition neighbor_atom.h:9
NeighborAtom(double x, double y, double z, int type, int index, int id)
Definition neighbor_atom.h:18
int atom_index
Definition neighbor_atom.h:13
int atom_id
Definition neighbor_atom.h:14
double position_z
Definition neighbor_atom.h:11
bool is_inside
Definition neighbor_atom.h:16
int atom_type
Definition neighbor_atom.h:12
double position_y
Definition neighbor_atom.h:10