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>

Include dependency graph for read_hist.c:

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

Detailed Description

Functions to read DL-POLY history file.

Author: Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file read_hist.c.

Function Documentation

◆ check_for_species()

void check_for_species	(	double	v,
		int	ato )

extern

Fill the species for each atom and the associated data.

Parameters

v	Z
ato	the atom id

Definition at line 194 of file read_coord.c.

◆ hist_get_content()

int hist_get_content ( )

read the content of the DL-POLY history file

Definition at line 98 of file read_hist.c.

◆ hist_get_data()

int hist_get_data ( int linec )

read data from the DL-POLY history file

Parameters

linec Total number of lines

Definition at line 57 of file read_hist.c.

◆ open_hist_file()

int open_hist_file ( int linec )

open DL-POLY history file

Parameters

linec Number of lines in the file

Definition at line 438 of file read_hist.c.