atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to read DL-POLY history file. More...
#include "global.h"
#include "bind.h"
#include "interface.h"
#include "project.h"
#include <ctype.h>
#include "cbuild_edit.h"
#include "readers.h"
#include <omp.h>
Go to the source code of this file.
Functions | |
void | check_for_species (double v, int ato) |
Fill the species for each atom and the associated data. | |
int | hist_get_data (int linec) |
read data from the DL-POLY history file | |
int | hist_get_content () |
read the content of the DL-POLY history file | |
int | open_hist_file (int linec) |
open DL-POLY history file | |
Functions to read DL-POLY history file.
Definition in file read_hist.c.
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extern |
Fill the species for each atom and the associated data.
v | Z |
ato | the atom id |
Definition at line 194 of file read_coord.c.
int hist_get_content | ( | ) |
read the content of the DL-POLY history file
Definition at line 98 of file read_hist.c.
int hist_get_data | ( | int | linec | ) |
read data from the DL-POLY history file
linec | Total number of lines |
Definition at line 57 of file read_hist.c.
int open_hist_file | ( | int | linec | ) |
open DL-POLY history file
linec | Number of lines in the file |
Definition at line 438 of file read_hist.c.