include/rbin.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
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   6  *
   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
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  35
  36 #ifndef _rbin_h
  37 #define _rbin_h
  38
  39 #include "sysstuff.h"
  40 #include "typedefs.h"
  41 #include "network.h"
  42
  43 #ifdef __cplusplus
  44 extern "C" {
  45 #endif
  46
  47 typedef struct {
  48   int    nreal;
  49   int    maxreal;
  50   double *rbuf;
  51 } t_bin;
  52
  53 t_bin *mk_bin(void);
  54 /* Create a real bin */
  55
  56 void destroy_bin(t_bin *b);
  57 /* Destroy the bin structure */
  58
  59 void reset_bin(t_bin *b);
  60 /* Reset number of entries to zero */
  61
  62 int add_binr(t_bin *b,int nr,real r[]);
  63 int add_bind(t_bin *b,int nr,double r[]);
  64 /* Add reals to the bin. Returns index */
  65
  66 void sum_bin(t_bin *b,t_commrec *cr);
  67 /* Globally sum the reals in the bin */
  68
  69 void extract_binr(t_bin *b,int index,int nr,real r[]);
  70 void extract_bind(t_bin *b,int index,int nr,double r[]);
  71 /* Extract values from the bin, starting from index (see add_bin) */
  72
  73 #ifdef __cplusplus
  74 }
  75 #endif
  76
  77 #endif  /* _rbin_h */