My Documents/Codes/MD++.svn/trunk/src/meam-baskes.h File Reference

#include "mdparallel.h"

Go to the source code of this file.

Classes
struct	INTERACT
struct	LATTICE
struct	PARTICLE
struct	SCALED
struct	FORCES
struct	TYPES
struct	CNEIGH
struct	CMEAM
struct	SCR
struct	MEA
struct	KODES
struct	MYOUTPUT
class	MEAMFrame
Defines
#define	natmax   10000
#define	neimax   150
#define	ngrid   5010
#define	ngridar   5010
#define	ntable   10000
#define	nelmax   3
#define	natcmax   500
#define	icmax   30
#define	icmay   30
#define	icmaz   30
#define	neimx   3000
Functions
int	force_ ()
int	inter_ ()
int	phif_ (double *, int *, int *)
int	phiid_ (double *, int *)
int	calphiid_ (double *, int *, double *)
Variables
struct INTERACT	interact_
struct LATTICE	lattice_
struct PARTICLE	particle_
struct SCALED	scaled_
struct FORCES	forces_
struct TYPES	types_
struct CNEIGH	cneigh_
struct CMEAM	cmeam_
struct SCR	scr_
struct MEA	mea_
struct KODES	kodes_
struct MYOUTPUT	myoutput_

---

Define Documentation

#define icmax   30

Definition at line 36 of file meam-baskes.h.

#define icmay   30

Definition at line 37 of file meam-baskes.h.

#define icmaz   30

Definition at line 38 of file meam-baskes.h.

#define natcmax   500

Definition at line 35 of file meam-baskes.h.

#define natmax   10000

Definition at line 29 of file meam-baskes.h.

Referenced by MEAMFrame::MEAM().

#define neimax   150

Definition at line 30 of file meam-baskes.h.

#define neimx   3000

Definition at line 39 of file meam-baskes.h.

#define nelmax   3

Definition at line 34 of file meam-baskes.h.

#define ngrid   5010

Definition at line 31 of file meam-baskes.h.

#define ngridar   5010

Definition at line 32 of file meam-baskes.h.

#define ntable   10000

Definition at line 33 of file meam-baskes.h.

---

Function Documentation

int calphiid_	(	double *	,
		int *	,
		double *
	)

Referenced by MEAMFrame::printpairpot().

int force_

(

)

Referenced by MEAMFrame::MEAM().

int inter_

(

)

Referenced by MEAMFrame::readMEAM().

int phif_	(	double *	,
		int *	,
		int *
	)

int phiid_	(	double *	,
		int *
	)

---

Variable Documentation

struct CMEAM cmeam_

Referenced by MEAMFrame::initparser().

struct CNEIGH cneigh_

Referenced by MEAMFrame::readMEAM().

struct FORCES forces_

Referenced by MEAMFrame::MEAM().

struct INTERACT interact_

Referenced by MEAMFrame::initparser(), and MEAMFrame::readMEAM().

struct KODES kodes_

Referenced by MEAMFrame::initparser().

struct LATTICE lattice_

Referenced by MEAMFrame::MEAM().

struct MEA mea_

Referenced by MEAMFrame::initparser(), and MEAMFrame::readMEAM().

struct MYOUTPUT myoutput_

Referenced by MEAMFrame::readMEAM().

struct PARTICLE particle_

Referenced by MEAMFrame::MEAM().

struct SCALED scaled_

struct SCR scr_

struct TYPES types_

Referenced by MEAMFrame::initparser().