Functions to read Chem3d 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_c3d.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	c3d_get_atom_coordinates ()
	get the atomic coordinates from the C3D file

int	open_c3d_file (int linec)
	open C3D file

Detailed Description

Functions to read Chem3d 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_c3d.c.

Function Documentation

◆ c3d_get_atom_coordinates()

int c3d_get_atom_coordinates ( )

get the atomic coordinates from the C3D file

Definition at line 54 of file read_c3d.c.

◆ 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.

◆ open_c3d_file()

int open_c3d_file ( int linec )

open C3D file

Parameters

linec Number of lines in the file

Definition at line 320 of file read_c3d.c.