src/gromacs/domdec/redistribute.h

   1 /*
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  35 /*! \internal \file
  36  *
  37  * \brief Declares the atom redistribution function.
  38  *
  39  * \author Berk Hess <hess@kth.se>
  40  * \ingroup module_domdec
  41  */
  42 #ifndef GMX_DOMDEC_DOMDEC_REDISTRIBUTE_H
  43 #define GMX_DOMDEC_DOMDEC_REDISTRIBUTE_H
  44
  45 #include <cstdio>
  46
  47 #include "gromacs/math/vectypes.h"
  48 #include "gromacs/utility/basedefinitions.h"
  49
  50 struct gmx_domdec_t;
  51 struct t_forcerec;
  52 struct t_nrnb;
  53 class t_state;
  54
  55 /*! \brief Redistribute the atoms to their, new, local domains */
  56 void dd_redistribute_cg(FILE*         fplog,
  57                         int64_t       step,
  58                         gmx_domdec_t* dd,
  59                         ivec          tric_dir,
  60                         t_state*      state,
  61                         t_forcerec*   fr,
  62                         t_nrnb*       nrnb,
  63                         int*          ncg_moved);
  64
  65 #endif