Functions to read CPMD atomic coordinates. More...

#include "global.h"
#include "glview.h"
#include "callbacks.h"
#include "interface.h"
#include "project.h"
#include "bind.h"
#include <omp.h>
#include "readers.h"

Include dependency graph for read_trj.c:

Go to the source code of this file.

Functions
int	trj_get_atom_coordinates ()
	get the atomic coordinates from the CPMD file

int	open_trj_file (int linec)
	open CPMD file

Detailed Description

Functions to read CPMD atomic coordinates.

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_trj.c.

Function Documentation

◆ open_trj_file()

int open_trj_file ( int linec )

open CPMD file

Parameters

linec Number of lines in the file

Definition at line 249 of file read_trj.c.

◆ trj_get_atom_coordinates()

int trj_get_atom_coordinates ( )

get the atomic coordinates from the CPMD file

Definition at line 52 of file read_trj.c.