src/gromacs/domdec/distribute.h

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
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   4  * Copyright (c) 2018, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35 /*! \internal \file
  36  *
  37  * \brief Declares the atom distribution function.
  38  *
  39  * \author Berk Hess <hess@kth.se>
  40  * \ingroup module_domdec
  41  */
  42 #ifndef GMX_DOMDEC_DOMDEC_DISTRIBUTE_H
  43 #define GMX_DOMDEC_DOMDEC_DISTRIBUTE_H
  44
  45 #include "gromacs/math/paddedvector.h"
  46 #include "gromacs/utility/basedefinitions.h"
  47
  48 struct gmx_ddbox_t;
  49 struct gmx_domdec_t;
  50 struct gmx_mtop_t;
  51 struct t_block;
  52 class t_state;
  53
  54 namespace gmx
  55 {
  56 class MDLogger;
  57 }
  58
  59 /*! \brief Distributes the state from the master rank to all DD ranks */
  60 void distributeState(const gmx::MDLogger     &mdlog,
  61                      gmx_domdec_t            *dd,
  62                      const gmx_mtop_t        &mtop,
  63                      t_state                 *state_global,
  64                      const gmx_ddbox_t       &ddbox,
  65                      t_state                 *state_local,
  66                      PaddedVector<gmx::RVec> *f);
  67
  68 #endif