include/types/block.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29
  30 typedef struct {
  31   int multinr[MAXPROC];         /* The indices for the multiprocessor
  32                                  * version. For n=0, the blocks run from 0
  33                                  * upto multinr[index[0]]. The blocks for
  34                                  * processor n (n>0) run from
  35                                  * index[multinr[n-1]] to index[multinr[n]].
  36                                  */
  37   int nr;                       /* The number of blocks                 */
  38   atom_id *index;               /* Array of indices in a (dim: nr+1)    */
  39   int nra;                      /* The number of atoms                  */
  40   atom_id *a;                   /* Array of atom numbers in each group  */
  41                                 /* (dim: nra)                           */
  42                                 /* Block i (0<=i<nr) runs from          */
  43                                 /* index[i] to index[i+1]-1. There will */
  44                                 /* allways be an extra entry in index   */
  45                                 /* to terminate the table               */
  46 } t_block;
  47