ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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io_npz.h
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1#ifndef NPZ_IO_H
2#define NPZ_IO_H
3
7
8#include <string>
9#include <vector>
10
11namespace ModuleIO
12{
13
14void read_mat_npz(const Parallel_Orbitals* paraV,
15 const UnitCell& ucell,
16 std::string& zipname,
18
19void output_mat_npz(const UnitCell& ucell, std::string& zipname, const hamilt::HContainer<double>& hR);
20
21} // namespace ModuleIO
22
23#endif // NPZ_IO_H
Definition parallel_orbitals.h:9
Definition unitcell.h:16
Definition hcontainer.h:144
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void read_mat_npz(const Parallel_Orbitals *paraV, const UnitCell &ucell, std::string &zipname, hamilt::HContainer< double > &hR)
Definition io_npz.cpp:20
void output_mat_npz(const UnitCell &ucell, std::string &zipname, const hamilt::HContainer< double > &hR)
Definition io_npz.cpp:324