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Atomic-orbital Based Ab-initio Computation at UStc
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single_R_io.h
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1#ifndef SINGLE_R_IO_H
2#define SINGLE_R_IO_H
3
5#include <map>
6
7namespace ModuleIO
8{
9 template <typename T>
10 void output_single_R(std::ofstream& ofs,
11 const std::map<size_t, std::map<size_t, T>>& XR,
12 const double& sparse_threshold,
13 const bool& binary,
14 const Parallel_Orbitals& pv,
15 const bool& reduce = true);
16}
17
18#endif
Definition parallel_orbitals.h:9
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void output_single_R(std::ofstream &ofs, const std::map< size_t, std::map< size_t, T > > &XR, const double &sparse_threshold, const bool &binary, const Parallel_Orbitals &pv, const bool &reduce=true)
Definition single_R_io.cpp:18