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Atomic-orbital Based Ab-initio Computation at UStc
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write_dmk.h
Go to the documentation of this file.
1#ifndef WRITE_DMK_H
2#define WRITE_DMK_H
3
6#include "source_cell/klist.h"
7
8#include <string>
9#include <vector>
10
11namespace ModuleIO {
12
21std::string dmk_gen_fname(const bool gamma_only, const int ispin, const int nspin, const int ik, const int istep);
22
26void dmk_readData(std::ifstream& ifs, double& data);
27
31void dmk_readData(std::ifstream& ifs, std::complex<double>& data);
32
47template <typename T>
48bool read_dmk(const int nspin,
49 const int nk,
50 const K_Vectors &kv,
51 const Parallel_2D& pv,
52 const std::string& dmk_dir,
53 std::vector<std::vector<T>>& dmk,
54 std::ofstream &ofs_running);
55
70template <typename T>
71void write_dmk(const std::vector<std::vector<T>>& dmk,
72 const K_Vectors &kv,
73 const int precision,
74 const std::vector<double>& efs,
75 const UnitCell* ucell,
76 const Parallel_2D& pv,
77 const int istep);
78
79} // namespace ModuleIO
80
81#endif
Definition klist.h:12
This class packs the basic information of 2D-block-cyclic parallel distribution of an arbitrary matri...
Definition parallel_2d.h:12
Definition unitcell.h:15
Definition input_help.cpp:10
std::string dmk_gen_fname(const bool gamma_only, const int ispin, const int nspin, const int ik, const int istep)
Generates the filename for the DMK file based on the given parameters.
Definition write_dmk.cpp:9
bool read_dmk(const int nspin, const int nk, const K_Vectors &kv, const Parallel_2D &pv, const std::string &dmk_dir, std::vector< std::vector< T > > &dmk, std::ofstream &ofs_running)
Reads the DMK data from a file.
Definition write_dmk.cpp:65
void dmk_readData(std::ifstream &ifs, double &data)
Read one double from a file.
Definition write_dmk.cpp:40
void write_dmk(const std::vector< std::vector< T > > &dmk, const K_Vectors &kv, const int precision, const std::vector< double > &efs, const UnitCell *ucell, const Parallel_2D &pv, const int istep)
Writes the DMK data to a file.
Definition write_dmk.cpp:183