src/gmxlib/testtab.c

   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 static char *SRCID_testtab_c = "$Id$";
  30
  31 #include <stdio.h>
  32 #include "typedefs.h"
  33 #include "force.h"
  34 #include "shift_util.h"
  35
  36 int main(int argc,char *argv[])
  37 {
  38   t_forcerec *fr;
  39   rvec box;
  40
  41   fr=mk_forcerec();
  42   fr->r1 = 0.6;
  43   fr->rc = 0.9;
  44   fr->eeltype = eelTWIN;
  45   box[XX]=box[YY]=box[ZZ]=1.0;
  46
  47   set_shift_consts(stdout,fr->r1,fr->rc,box,fr);
  48
  49   make_tables(fr);
  50
  51   return 0;
  52 }