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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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Functions | |
| 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) |
| void | make_dir_atom (const std::string &label, const std::string &global_out_dir) |
| void | open_log (std::ofstream &ofs, const std::string &fn, const std::string &calculation, const bool &restart, const std::string &global_out_dir) |
| void | close_log (std::ofstream &ofs, const std::string &fn) |
| void | close_all_log (const int rank, const bool out_alllog=false, const std::string &calculation="md") |
| void ModuleBase::Global_File::close_all_log | ( | const int | rank, |
| const bool | out_alllog = false, |
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| const std::string & | calculation = "md" |
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| ) |
| void ModuleBase::Global_File::close_log | ( | std::ofstream & | ofs, |
| const std::string & | fn | ||
| ) |
| void ModuleBase::Global_File::make_dir_atom | ( | const std::string & | label, |
| const std::string & | global_out_dir | ||
| ) |
| void ModuleBase::Global_File::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 | ||
| ) |
| void ModuleBase::Global_File::open_log | ( | std::ofstream & | ofs, |
| const std::string & | fn, | ||
| const std::string & | calculation, | ||
| const bool & | restart, | ||
| const std::string & | global_out_dir | ||
| ) |