include/rbin.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 #ifndef _rbin_h
  31 #define _rbin_h
  32
  33 static char *SRCID_rbin_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) rbin.h 1.8 2/2/97"
  37 #endif /* HAVE_IDENT */
  38 #include "sysstuff.h"
  39 #include "typedefs.h"
  40 #include "network.h"
  41
  42 typedef struct {
  43   int    nreal;
  44   int    maxreal;
  45   double *rbuf;
  46 } t_bin;
  47
  48 extern t_bin *mk_bin(void);
  49 /* Create a real bin */
  50
  51 extern void reset_bin(t_bin *b);
  52 /* Reset number of entries to zero */
  53
  54 extern int add_binr(FILE *log,t_bin *b,int nr,real r[]);
  55 extern int add_bind(FILE *log,t_bin *b,int nr,double r[]);
  56 /* Add reals to the bin. Returns index */
  57
  58 extern void sum_bin(t_bin *b,t_commrec *cr);
  59 /* Globally sum the reals in the bin */
  60
  61 extern void extract_binr(t_bin *b,int index,int nr,real r[]);
  62 extern void extract_bind(t_bin *b,int index,int nr,double r[]);
  63 /* Extract values from the bin, starting from index (see add_bin) */
  64
  65 #endif  /* _rbin_h */