added os-specific defines from cmake required by memtestG80
[gromacs/qmmm-gamess-us.git] / src / contrib / testtab.c
blobea4d15ae562bf9795dd70300d0f426c673a3f349
1 /*
2 *
3 * This source code is part of
4 *
5 * G R O M A C S
6 *
7 * GROningen MAchine for Chemical Simulations
8 *
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.
15 * This program is free software; you can redistribute it and/or
16 * modify it under the terms of the GNU General Public License
17 * as published by the Free Software Foundation; either version 2
18 * of the License, or (at your option) any later version.
20 * If you want to redistribute modifications, please consider that
21 * scientific software is very special. Version control is crucial -
22 * bugs must be traceable. We will be happy to consider code for
23 * inclusion in the official distribution, but derived work must not
24 * be called official GROMACS. Details are found in the README & COPYING
25 * files - if they are missing, get the official version at www.gromacs.org.
27 * To help us fund GROMACS development, we humbly ask that you cite
28 * the papers on the package - you can find them in the top README file.
30 * For more info, check our website at http://www.gromacs.org
32 * And Hey:
33 * GROningen Mixture of Alchemy and Childrens' Stories
35 /* This file is completely threadsafe - keep it that way! */
37 #include <stdio.h>
38 #include "typedefs.h"
39 #include "force.h"
40 #include "coulomb.h"
42 int main(int argc,char *argv[])
44 t_forcerec *fr;
45 rvec box;
47 fr=mk_forcerec();
48 fr->r1 = 0.6;
49 fr->rc = 0.9;
50 fr->eeltype = eelTWIN;
51 box[XX]=box[YY]=box[ZZ]=1.0;
53 set_shift_consts(stdout,fr->r1,fr->rc,box,fr);
55 make_tables(fr);
57 return 0;