*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2008, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <math.h>
#include <string.h>
-#include "typedefs.h"
-#include "smalloc.h"
-#include "genborn.h"
-#include "vec.h"
-#include "grompp.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/genborn.h"
+#include "gromacs/math/vec.h"
#include "gromacs/fileio/pdbio.h"
-#include "names.h"
-#include "physics.h"
-#include "domdec.h"
-#include "partdec.h"
-#include "network.h"
-#include "gmx_fatal.h"
-#include "mtop_util.h"
-#include "genborn.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/math/units.h"
+#include "gromacs/legacyheaders/domdec.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/legacyheaders/genborn.h"
#include "gromacs/utility/gmxmpi.h"
/* Only compile this file if SSE2 intrinsics are available */
-#if 0 && defined (GMX_X86_SSE2)
+#if 0 && defined (GMX_SIMD_X86_SSE2_OR_HIGHER)
#include <gmx_sse2_double.h>
#include <emmintrin.h>
}
/* Sum up the polarization energy from other nodes */
- if (PARTDECOMP(cr))
- {
- gmx_sum(natoms, work, cr);
- }
- else if (DOMAINDECOMP(cr))
+ if (DOMAINDECOMP(cr))
{
dd_atom_sum_real(cr->dd, work);
}
}
/* Parallel summations */
- if (PARTDECOMP(cr))
- {
- gmx_sum(natoms, work, cr);
- }
- else if (DOMAINDECOMP(cr))
+ if (DOMAINDECOMP(cr))
{
dd_atom_sum_real(cr->dd, work);
}