/*
 * $Id: nsgrid.h,v 1.9 2003/11/17 21:50:41 spoel Exp $
 * 
 *                This source code is part of
 * 
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 *          GROningen MAchine for Chemical Simulations
 * 
 *                        VERSION 3.2.0
 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
 * Copyright (c) 2001-2004, The GROMACS development team,
 * check out http://www.gromacs.org for more information.

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#ifndef _nsgrid_h
#define _nsgrid_h

#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "typedefs.h"

extern void init_grid(FILE *log,t_grid *grid,
		      int delta,matrix box,real rlong,int ncg);

extern void done_grid(t_grid *grid);

extern void grid_first(FILE *log,t_grid *grid,matrix box,real rlong);

extern void fill_grid(FILE *log,bool bDD,int cg_index[],
		      t_grid *grid,matrix box,
		      int ncg,int cg0,int cg1,rvec cg_cm[]);

extern void calc_elemnr(FILE *log,bool bDD,int cg_index[],
			t_grid *grid,int cg0,int cg1,int ncg);

extern void calc_ptrs(t_grid *grid);

extern void grid_last(FILE *log,bool bDD,int cg_index[],
		      t_grid *grid,int cg0,int cg1,int ncg);

extern int xyz2ci_(int nry,int nrz,int x,int y,int z);
#define xyz2ci(nry,nrz,x,y,z) ((nry)*(nrz)*(x)+(nrz)*(y)+(z))
/* Return the cell index */

extern void ci2xyz(t_grid *grid,int i,int *x,int *y,int *z);

extern void check_grid(FILE *log,t_grid *grid);

extern void print_grid(FILE *log,t_grid *grid,bool bDD,int cg_index[]);

extern void mv_grid(t_commrec *cr,bool bDD,int cg_index[],
		    t_grid *grid,int cgload[]);
/* Move the grid over processors */

#endif	/* ns_grid_h */


