include/nhash.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  * Good ROcking Metal Altar for Chronical Sinners
  28  */
  29
  30 #ifndef _nhash_h
  31 #define _nhash_h
  32
  33 static char *SRCID_nhash_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) nhash.h 1.3 11/23/92"
  37 #endif /* HAVE_IDENT */
  38
  39 #define MAX_LJQQ 997
  40
  41 typedef struct {
  42   float c6,c12,qq;
  43 } t_ljqq;
  44
  45 extern t_ljqq LJQQ[MAX_LJQQ];
  46
  47 int h_enter(FILE *log,float c6, float c12, float qq);
  48 /* Enters the constants denoted above in the hash-table.
  49  * Returns the index in LJQQ.
  50  */
  51
  52 void h_stat(FILE *log);
  53 /* Print statistics for hashing */
  54
  55 #endif  /* _nhash_h */