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Atomic-orbital Based Ab-initio Computation at UStc
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Functions
ModuleBase::Global_File Namespace Reference

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")
 

Function Documentation

◆ close_all_log()

void ModuleBase::Global_File::close_all_log ( const int  rank,
const bool  out_alllog = false,
const std::string &  calculation = "md" 
)
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◆ close_log()

void ModuleBase::Global_File::close_log ( std::ofstream &  ofs,
const std::string &  fn 
)
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◆ make_dir_atom()

void ModuleBase::Global_File::make_dir_atom ( const std::string &  label,
const std::string &  global_out_dir 
)
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◆ make_dir_out()

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 
)
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◆ open_log()

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 
)
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