(git:1f285aa)
tmc_file_io.F File Reference

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Modules

module  tmc_file_io
 
  • writing and printing the files, trajectory (pos, cell, dipoles) as well as restart files

 

Functions/Subroutines

character(len=default_path_length) function, public tmc_file_io::expand_file_name_char (file_name, extra)
 placing a character string at the end of a file name (before the file extension) More...
 
character(len=default_path_length) function, public tmc_file_io::expand_file_name_temp (file_name, rvalue)
 placing the temperature at the end of a file name (before the file extension) More...
 
character(len=default_path_length) function, public tmc_file_io::expand_file_name_int (file_name, ivalue)
 placing an integer at the end of a file name (before the file extension) More...
 
subroutine, public tmc_file_io::print_restart_file (tmc_env, job_counts, timings)
 prints out the TMC restart files with all last configurations and counters etc. More...
 
subroutine, public tmc_file_io::read_restart_file (tmc_env, job_counts, timings, file_name)
 reads the TMC restart file with all last configurations and counters etc. More...
 
subroutine, public tmc_file_io::write_result_list_element (result_list, result_count, conf_updated, accepted, tmc_params)
 select the correct configuration to print out the (coordinates, forces, cell ...) More...
 
subroutine, public tmc_file_io::write_element_in_file (elem, tmc_params, temp_index, file_name, conf_nr, conf_info)
 writes the trajectory element in a file from sub tree element More...
 
subroutine, public tmc_file_io::write_dipoles_in_file (file_name, conf_nr, dip, file_ext)
 writes the cell dipoles in dipole trajectory file More...
 
subroutine, public tmc_file_io::read_element_from_file (elem, tmc_ana, conf_nr, stat)
 read the trajectory element from a file from sub tree element More...
 
subroutine, public tmc_file_io::analyse_files_open (tmc_ana, stat, dir_ind)
 opens the files for reading configurations data to analyze More...
 
subroutine, public tmc_file_io::analyse_files_close (tmc_ana)
 close the files for reading configurations data to analyze More...