/*
 * $Id: nblist.h,v 1.12 2003/11/17 21:50:44 spoel Exp $
 * 
 *                This source code is part of
 * 
 *                 G   R   O   M   A   C   S
 * 
 *          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.

 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU General Public License
 * as published by the Free Software Foundation; either version 2
 * of the License, or (at your option) any later version.
 * 
 * If you want to redistribute modifications, please consider that
 * scientific software is very special. Version control is crucial -
 * bugs must be traceable. We will be happy to consider code for
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 * GRoups of Organic Molecules in ACtion for Science
 */
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

typedef struct {
  int     il_code;             /* Code that determines the innerloop    */
                               /* corresponding to codes in nrnb.h      */
  int     nri,maxnri;          /* Current/max number of i particles	*/
  int     nrj,maxnrj;	       /* Current/max number of j particles	*/
  int     maxlen;              /* maxnr of j atoms for a single i atom 	*/
  int     solvent;             /* type of solvent optimization          */
  atom_id *iinr;	       /* The i-elements			*/
  int     *gid;                /* Index in energy arrays                */
  int     *shift;              /* Shift vector index                    */
  int     *jindex;             /* Index in jjnr                         */
  atom_id *jjnr;	       /* The j-atom list                       */
  int     *nsatoms;            /* list with number of atoms for general */
                               /* solvents. There are two entries for 	*/
                               /* each molecule - first is total natoms */
                               /* and second how many at the beginning 	*/
                               /* have LJ interactions.                 */
                               /* This is NOT used for water!           */
#ifdef USE_THREADS
  int      count;              /* counter to multithread the innerloops */
  pthread_mutex_t *mtx;        /* mutex to lock the counter             */
#else
  int      pad1,*pad2;         /* padding to make size constant         */
#endif
} t_nblist;

/* For atom I =  nblist->iinr[N] (0 <= N < nblist->nri) there can be
 * several neighborlists (N's), for different energy groups (gid) and
 * different shifts (shift).
 * For corresponding J atoms for each list are are:
 * nblist->jjnr[JI]
 * with nblist->jindex[N] <= JI < nblist->jindex[N+1]
 *
 * Clear?
 */










