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

#include "mdparallel.h"

Go to the source code of this file.

Classes
class	Vector6
class	Vector10
class	MEAMFrame
Enumerations
enum	{   FCC, BCC, HCP, DIM,   DIAMOND, B1, C11 }
Functions
void	meam_setup_global_ (int *, int *, double *, int *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, int *)
void	meam_setup_param_ (int *, double *, int *, int *, int *)
void	meam_setup_done_ (double *)
void	meam_dens_init_ (int *, int *, int *, double *, int *, int *, int *, double *, int *, int *, int *, int *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, int *)
void	meam_dens_final_ (int *, int *, int *, double *, int *, int *, int *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, int *, int *)
void	meam_force_ (int *, int *, int *, double *, int *, int *, int *, double *, int *, int *, int *, int *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, int *)
void	phif_ (int *, int *, double *, double *, double *)
Variables
int	nkeywords = 15
char *	keywords []

---

Enumeration Type Documentation

anonymous enum

Enumerator:

FCC
BCC
HCP
DIM
DIAMOND
B1
C11

Definition at line 100 of file meam-lammps.h.

---

Function Documentation

void meam_dens_final_	(	int *	,
		int *	,
		int *	,
		double *	,
		int *	,
		int *	,
		int *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		int *	,
		int *
	)

void meam_dens_init_	(	int *	,
		int *	,
		int *	,
		double *	,
		int *	,
		int *	,
		int *	,
		double *	,
		int *	,
		int *	,
		int *	,
		int *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		int *
	)

void meam_force_	(	int *	,
		int *	,
		int *	,
		double *	,
		int *	,
		int *	,
		int *	,
		double *	,
		int *	,
		int *	,
		int *	,
		int *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		int *
	)

void meam_setup_done_

(

double *

)

void meam_setup_global_	(	int *	,
		int *	,
		double *	,
		int *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		double *	,
		int *
	)

Referenced by MEAMFrame::read_files().

void meam_setup_param_	(	int *	,
		double *	,
		int *	,
		int *	,
		int *
	)

Referenced by MEAMFrame::read_files().

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

---

Variable Documentation

char* keywords[]

Initial value:

 {"Ec","alpha","rho0","delta",
                    "lattce","attrac","repuls",
                    "nn2","Cmin","Cmax","rc",
                    "delr","augt1","gsmooth_factor","re"}

Definition at line 102 of file meam-lammps.h.

Referenced by MEAMFrame::read_files().

int nkeywords = 15

Definition at line 101 of file meam-lammps.h.

Referenced by MEAMFrame::read_files().