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Atomic-orbital Based Ab-initio Computation at UStc
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read_hcontainer.h
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1#ifndef READ_HCONTAINER_H
2#define READ_HCONTAINER_H
3
6
7namespace hamilt
8{
9
13template <typename T>
15{
16 public:
18 hamilt::HContainer<T>* hcontainer,
19 const std::string& filename,
20 const int nlocal,
21 const UnitCell* ucell
22 );
23 // read the matrices of all R vectors to the read stream
24 void read();
25
30 void read(int rx_in, int ry_in, int rz_in);
31
36 void read_single_R(int rx, int ry, int rz);
37
38 private:
40 std::string _filename;
43};
44
45} // namespace hamilt
46
47#endif // OUTPUT_HCONTAINER_H
Definition unitcell.h:17
Definition hcontainer.h:144
A class to read the HContainer.
Definition read_hcontainer.h:15
const UnitCell * _ucell
Definition read_hcontainer.h:42
void read(int rx_in, int ry_in, int rz_in)
std::string _filename
Definition read_hcontainer.h:40
void read_single_R(int rx, int ry, int rz)
hamilt::HContainer< T > * _hcontainer
Definition read_hcontainer.h:39
int _nlocal
Definition read_hcontainer.h:41
void read()
Definition read_hcontainer.cpp:26
Definition hamilt.h:12