include/types/simple.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 #ifdef CPLUSPLUS
  31 extern "C" {
  32 #endif
  33
  34 #ifndef FALSE
  35 #define FALSE   0
  36 #endif
  37 #ifndef TRUE
  38 #define TRUE    1
  39 #endif
  40 #define BOOL_NR 2
  41
  42 #define XX      0                       /* Defines for indexing in      */
  43 #define YY      1                       /* vectors                      */
  44 #define ZZ      2
  45 #define DIM     3                       /* Dimension of vectors         */
  46 #define MAXPROC         256             /* Max number of processors     */
  47
  48 #ifndef HAVE_BOOL
  49 #define bool int
  50   /* typedef int                bool; */
  51 #endif
  52
  53
  54 typedef unsigned int    atom_id;        /* To indicate an atoms id         */
  55 typedef unsigned int    atom_nr;        /* To indicate a number of atoms   */
  56 /* Notice that atom_id cannot use its full range when the types of atom_id */
  57 /* and atom_nr are equal.                                                  */
  58 #define NO_ATID         (atom_id)(~0)   /* Use this to indicate invalid atid */
  59
  60 #ifdef DOUBLE
  61 typedef double          real;
  62 #define GMX_MPI_REAL    MPI_DOUBLE
  63 #define GMX_REAL_EPS    2.2e-16
  64 #else
  65 typedef float           real;
  66 #define GMX_MPI_REAL    MPI_FLOAT
  67 #define GMX_REAL_EPS    1.2e-07
  68 #endif
  69
  70 typedef real            rvec[DIM];
  71
  72 typedef real            matrix[DIM][DIM];
  73
  74 typedef real            tensor[DIM][DIM];
  75
  76 typedef int             ivec[DIM];
  77
  78 typedef int             imatrix[DIM][DIM];
  79
  80 #ifdef CPLUSPLUS
  81 }
  82 #endif
  83
  84