added Verlet scheme and NxN non-bonded functionality
[gromacs.git] / src / mdlib / nbnxn_kernels / nbnxn_kernel_gpu_ref.h
blob0ac60cd8b3066c03af0994b7e81869e5fd0ee25a
1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
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 3.2.0
11 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
12 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
13 * Copyright (c) 2001-2004, The GROMACS development team,
14 * check out http://www.gromacs.org for more information.
16 * This program is free software; you can redistribute it and/or
17 * modify it under the terms of the GNU General Public License
18 * as published by the Free Software Foundation; either version 2
19 * of the License, or (at your option) any later version.
21 * If you want to redistribute modifications, please consider that
22 * scientific software is very special. Version control is crucial -
23 * bugs must be traceable. We will be happy to consider code for
24 * inclusion in the official distribution, but derived work must not
25 * be called official GROMACS. Details are found in the README & COPYING
26 * files - if they are missing, get the official version at www.gromacs.org.
28 * To help us fund GROMACS development, we humbly ask that you cite
29 * the papers on the package - you can find them in the top README file.
31 * For more info, check our website at http://www.gromacs.org
34 #ifndef _nbnxn_kernel_gpu_ref_h
35 #define _nbnxn_kernel_gpu_ref_h
37 #include "typedefs.h"
39 #ifdef __cplusplus
40 extern "C" {
41 #endif
43 /* Reference (slow) kernel for nb n vs n GPU type pair lists */
44 void
45 nbnxn_kernel_gpu_ref(const nbnxn_pairlist_t *nbl,
46 const nbnxn_atomdata_t *nbat,
47 const interaction_const_t *iconst,
48 rvec *shift_vec,
49 int force_flags,
50 int clearF,
51 real * f,
52 real * fshift,
53 real * Vc,
54 real * Vvdw);
56 #ifdef __cplusplus
58 #endif
60 #endif