read_field.c File Reference

Functions to read DLPOLY force field data in the atomes project file format. More...

#include "global.h"
#include "project.h"
#include "dlp_field.h"

Include dependency graph for read_field.c:

Go to the source code of this file.

Functions
int	read_field_atom (FILE *fp)
	read field atom properties from file
int	read_field_shell (FILE *fp)
	read field core shell data from file
int	read_field_constraint (FILE *fp)
	read field constraint data from file
int	read_field_pmf (FILE *fp)
	read field mean force potential data from file
int	read_field_rigid (FILE *fp)
	read field rigid constraints data from file
int	read_field_tethered (FILE *fp, int fid)
	read field tethered data from file
int	read_field_prop (FILE *fp, int fid, int pid)
	read field property from file
int	read_field_struct (FILE *fp, int fid)
	read field structural properties from file
int	read_field_molecule (FILE *fp, int fid)
	read field molecule from file
int	read_field_body (FILE *fp, int fid)
	read field nth body data from file
int	read_field_external (FILE *fp, int fid)
	read field external data from file
int	read_dlp_field_data (FILE *fp, project *this_proj)
	read force field data from file
int	read_lmp_field_data (FILE *fp, project *this_proj)
	read LAMMPS field data from file

Detailed Description

Functions to read DLPOLY force field data in the atomes project file format.

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_field.c.

Function Documentation

read_dlp_field_data()

int read_dlp_field_data	(	FILE *	fp,
		project *	this_proj )

read force field data from file

Parameters

fp	the file pointer
this_proj	the target project

Definition at line 460 of file read_field.c.

read_field_atom()

int read_field_atom

(

FILE *

fp

)

read field atom properties from file

Parameters

fp	the file pointer

Definition at line 60 of file read_field.c.

read_field_body()

int read_field_body	(	FILE *	fp,
		int	fid )

read field nth body data from file

Parameters

fp	the file pointer
fid	the field id

Definition at line 402 of file read_field.c.

read_field_constraint()

int read_field_constraint

(

FILE *

fp

)

read field constraint data from file

Parameters

fp	the file pointer

Definition at line 111 of file read_field.c.

read_field_external()

int read_field_external	(	FILE *	fp,
		int	fid )

read field external data from file

Parameters

fp	the file pointer
fid	the field id

Definition at line 441 of file read_field.c.

read_field_molecule()

int read_field_molecule	(	FILE *	fp,
		int	fid )

read field molecule from file

Parameters

fp	the file pointer
fid	the field id

Definition at line 259 of file read_field.c.

read_field_pmf()

int read_field_pmf

(

FILE *

fp

)

read field mean force potential data from file

Parameters

fp	the file pointer

Definition at line 129 of file read_field.c.

read_field_prop()

int read_field_prop	(	FILE *	fp,
		int	fid,
		int	pid )

read field property from file

Parameters

fp	the file pointer
fid	the field id
pid	the property id

Definition at line 196 of file read_field.c.

read_field_rigid()

int read_field_rigid

(

FILE *

fp

)

read field rigid constraints data from file

Parameters

fp	the file pointer

Definition at line 155 of file read_field.c.

read_field_shell()

int read_field_shell

(

FILE *

fp

)

read field core shell data from file

Parameters

fp	the file pointer

Definition at line 90 of file read_field.c.

read_field_struct()

int read_field_struct	(	FILE *	fp,
		int	fid )

read field structural properties from file

Parameters

fp	the file pointer
fid	the field id

Definition at line 220 of file read_field.c.

read_field_tethered()

int read_field_tethered	(	FILE *	fp,
		int	fid )

read field tethered data from file

Parameters

fp	the file pointer
fid	the field id

Definition at line 174 of file read_field.c.

read_lmp_field_data()

int read_lmp_field_data	(	FILE *	fp,
		project *	this_proj )

read LAMMPS field data from file

Parameters

fp	the file pointer
this_proj	the target project

Definition at line 579 of file read_field.c.