Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / fft / parallel_3dfft.h

diff --git a/src/gromacs/fft/parallel_3dfft.h b/src/gromacs/fft/parallel_3dfft.h
index c5b91d61433996f393bf754a730f041ced37c519..145b0a97b7bb241ffa35f3f217125cdc5c5a5e64 100644 (file)
--- a/src/gromacs/fft/parallel_3dfft.h
+++ b/src/gromacs/fft/parallel_3dfft.h
@@ -1,29 +1,48 @@
-/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+/*
+ * This file is part of the GROMACS molecular simulation package.
  *
+ * Copyright (c) 1991-2005 David van der Spoel, Erik Lindahl, University of Groningen.
+ * 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.
  *
- * Gromacs                               Copyright (c) 1991-2005
- * David van der Spoel, Erik Lindahl, University of Groningen.
- *
- * This program is free software; you can redistribute it and/or
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  * of the License, or (at your option) any later version.
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  */
 
 #ifndef GMX_FFT_PARALLEL_3DFFT_H
 #define GMX_FFT_PARALLEL_3DFFT_H
 
-#include "../legacyheaders/types/nrnb.h"
-#include "../legacyheaders/types/simple.h"
-#include "../legacyheaders/gmxcomplex.h"
-#include "../utility/gmxmpi.h"
-#include "fft.h"
+#include "gromacs/fft/fft.h"
+#include "gromacs/math/gmxcomplex.h"
+#include "gromacs/timing/wallcycle.h"
+#include "gromacs/utility/basedefinitions.h"
+#include "gromacs/utility/gmxmpi.h"
+#include "gromacs/utility/real.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -51,8 +70,6 @@ typedef struct gmx_parallel_3dfft *
  *  \param comm           MPI communicator for both parallelization axis.
  *                        Needs to be either initialized or MPI_NULL for
  *                        no parallelization in that axis.
- *  \param slab2index_major Not used
- *  \param slab2index_minor Not used
  *  \param bReproducible  Try to avoid FFT timing optimizations and other stuff
  *                        that could make results differ for two runs with
  *                        identical input (reproducibility for debugging).
@@ -66,8 +83,6 @@ int
                                real **real_data,
                                t_complex **complex_data,
                                MPI_Comm                  comm[2],
-                               int *                     slab2index_major,
-                               int *                     slab2index_minor,
                                gmx_bool                  bReproducible,
                                int                       nthreads);
 
@@ -97,8 +112,6 @@ gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft_t      pfft_setup,
 int
 gmx_parallel_3dfft_execute(gmx_parallel_3dfft_t    pfft_setup,
                            enum gmx_fft_direction  dir,
-                           void *                  in_data,
-                           void *                  out_data,
                            int                     thread,
                            gmx_wallcycle_t         wcycle);
 
@@ -109,12 +122,6 @@ gmx_parallel_3dfft_execute(gmx_parallel_3dfft_t    pfft_setup,
  *  is not released, but the contents is invalid after this call.
  *
  *  \param pfft_setup Parallel 3dfft setup.
- *  \param in_data    Input data.
- *  \param out_data   Output data.
- *  \param thread     Thread index of the calling thread, i.e. index to the part
- *                    of the data operated on last by the calling thread. This
- *                    is needed to start the FFT without an OpenMP barrier.
- *  \param wcycle     Wall cycle counters.
  *
  *  \return 0 or a standard error code.
  */