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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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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...
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subroutine, public | tmc_file_io::analyse_files_open (tmc_ana, stat, dir_ind) |
| opens the files for reading configurations data to analyze More...
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subroutine, public | tmc_file_io::analyse_files_close (tmc_ana) |
| close the files for reading configurations data to analyze More...
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