added Verlet scheme and NxN non-bonded functionality

[alexxy/gromacs.git] / src / mdlib / nbnxn_kernels / nbnxn_kernel_common.h

diff --git a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.h
similarity index 74%
rename from src/kernel/gmx_gpu_utils/gmx_gpu_utils.h
rename to src/mdlib/nbnxn_kernels/nbnxn_kernel_common.h
index 76070804eafe41f3ddeec2e56a8277cdd6831454..eacbaee44024d450ebd7671c1ac472aeaba4ddf9 100644 (file)
--- a/src/kernel/gmx_gpu_utils/gmx_gpu_utils.h
+++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.h
@@ -1,15 +1,16 @@
 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
  *
- * 
+ *
  *                This source code is part of
  * 
  *                 G   R   O   M   A   C   S
  * 
  *          GROningen MAchine for Chemical Simulations
  * 
+ *                        VERSION 3.2.0
  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2010, The GROMACS development team,
+ * Copyright (c) 2001-2004, The GROMACS development team,
  * check out http://www.gromacs.org for more information.
 
  * This program is free software; you can redistribute it and/or
@@ -28,29 +29,31 @@
  * the papers on the package - you can find them in the top README file.
  * 
  * For more info, check our website at http://www.gromacs.org
- * 
- * And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
  */
 
-#ifndef _GMX_GPU_UTILS_H_
-#define _GMX_GPU_UTILS_H_
+#ifndef _nbnxn_kernel_common_h
+#define _nbnxn_kernel_common_h
 
-#ifndef __cplusplus
+#include "typedefs.h"
+
+#ifdef __cplusplus
 extern "C" {
 #endif
+#if 0
+}
+#endif
 
-int do_quick_memtest(int /*dev_id*/);
-
-int do_full_memtest(int /*dev_id*/);
-
-int do_timed_memtest(int /*dev_id*/, int /*time_limit*/);
+void
+clear_f(const nbnxn_atomdata_t *nbat,real *f);
 
-int is_supported_cuda_gpu(int /*dev_id*/, char* /*gpu_name*/);
+void
+clear_fshift(real *fshift);
 
-#ifndef __cplusplus
-}  /* extern "C" */
+#if 0
+{
+#endif
+#ifdef __cplusplus
+}
 #endif
 
-#endif // _GMX_GPU_UTILS_H_
-
+#endif