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Atomic-orbital Based Ab-initio Computation at UStc
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global_file.h
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1//==========================================================
2// AUTHOR : mohan
3// DATE : 2008-11-10
4// LAST UPDATE : 2009-03-23 mohan add modify make_dir_out
5//==========================================================
6#ifndef GLOBAL_FILE_H
7#define GLOBAL_FILE_H
8
9#include <cstdlib>
10#include <string>
11#include <fstream>
12#include <iostream>
13#include <iomanip>
14
15//==========================================================
16// namespace : Global_File_Operation
17//==========================================================
18namespace ModuleBase
19{
20namespace Global_File
21{
22 // called in input.cpp, after reading parameters.
23 void make_dir_out(const std::string &suffix,
24 const std::string &calculation,
25 const bool &out_dir,
26 const bool &out_wfc_dir,
27 const int rank,
28 const bool &restart,
29 const bool out_alllog,
30 const std::string &global_out_dir,
31 const std::string &global_stru_dir,
32 const std::string &global_matrix_dir,
33 const std::string &global_wfc_dir,
34 const std::string &global_mlkedf_descriptor_dir,
35 const std::string &global_deepks_label_elec_dir,
36 const std::string &log_file,
37 const bool of_ml_gene_data,
38 const bool deepks_out_freq_elec);
39
40 void make_dir_atom(const std::string &label, const std::string &global_out_dir);
41 void open_log ( std::ofstream &ofs, const std::string &fn, const std::string &calculation, const bool &restart, const std::string &global_out_dir);
42 void close_log( std::ofstream &ofs, const std::string &fn);
43 void close_all_log(const int rank, const bool out_alllog = false, const std::string& calculation = "md");
44}
45}
46#endif
47
void open_log(std::ofstream &ofs, const std::string &fn, const std::string &calculation, const bool &restart, const std::string &global_out_dir)
Definition global_file.cpp:331
void make_dir_atom(const std::string &label, const std::string &global_out_dir)
Definition global_file.cpp:320
void close_all_log(const int rank, const bool out_alllog=false, const std::string &calculation="md")
Definition global_file.cpp:363
void close_log(std::ofstream &ofs, const std::string &fn)
Definition global_file.cpp:353
void make_dir_out(const std::string &suffix, const std::string &calculation, const bool &out_dir, const bool &out_wfc_dir, const int rank, const bool &restart, const bool out_alllog, const std::string &global_out_dir, const std::string &global_stru_dir, const std::string &global_matrix_dir, const std::string &global_wfc_dir, const std::string &global_mlkedf_descriptor_dir, const std::string &global_deepks_label_elec_dir, const std::string &log_file, const bool of_ml_gene_data, const bool deepks_out_freq_elec)
Definition read_input_test.cpp:33
Definition clebsch_gordan_coeff.cpp:8