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Atomic-orbital Based Ab-initio Computation at UStc
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divide_info.h
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1#pragma once
2
3#include "biggrid_info.h"
4#include "unitcell_info.h"
5#include "localcell_info.h"
6
7namespace ModuleGint
8{
9
11{
12 public:
13 // constructor
15 int startidx_bx_old, int startidx_by_old, int startidx_bz_old,
16 int nbx_old, int nby_old, int nbz_old,
17 std::shared_ptr<const UnitCellInfo> unitcell_info, bool is_redivided = false);
18
19 // getter functions
20 std::shared_ptr<const LocalCellInfo> get_localcell_info() const { return localcell_info_; }
21 bool get_is_redivided() const { return is_redivided_; }
22
23 private:
24 // if the grid is redivided, is_redeiided_ is true
26
27 // the old start index of the local cell
31
32 // the old number of big grids in the local cell
36
37 // the new start index of the local cell
41
42 // the new number of big grids in the local cell
46
47 // the unitcell info
48 std::shared_ptr<const UnitCellInfo> unitcell_info_;
49
50 // the localcell info
51 std::shared_ptr<const LocalCellInfo> localcell_info_;
52};
53
54}
Definition divide_info.h:11
int startidx_bz_old_
Definition divide_info.h:30
int startidx_bx_old_
Definition divide_info.h:28
int nby_old_
Definition divide_info.h:34
int nbx_new_
Definition divide_info.h:43
int startidx_by_old_
Definition divide_info.h:29
int nbx_old_
Definition divide_info.h:33
std::shared_ptr< const UnitCellInfo > unitcell_info_
Definition divide_info.h:48
int nbz_old_
Definition divide_info.h:35
int nbz_new_
Definition divide_info.h:45
std::shared_ptr< const LocalCellInfo > localcell_info_
Definition divide_info.h:51
int startidx_bx_new_
Definition divide_info.h:38
bool get_is_redivided() const
Definition divide_info.h:21
int nby_new_
Definition divide_info.h:44
std::shared_ptr< const LocalCellInfo > get_localcell_info() const
Definition divide_info.h:20
int startidx_bz_new_
Definition divide_info.h:40
bool is_redivided_
Definition divide_info.h:25
int startidx_by_new_
Definition divide_info.h:39
Definition batch_biggrid.cpp:4