src/gromacs/domdec/domdec_vsite.h

   1 /*
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  35 /*! \internal \file
  36  *
  37  * \brief This file declares functions for domdec to use
  38  * while managing virtual sites.
  39  *
  40  * \author Berk Hess <hess@kth.se>
  41  * \ingroup module_domdec
  42  */
  43
  44 #ifndef GMX_DOMDEC_DOMDEC_VSITE_H
  45 #define GMX_DOMDEC_DOMDEC_VSITE_H
  46
  47 struct t_ilist;
  48 struct gmx_domdec_t;
  49
  50 /*! \brief Clears the local indices for the virtual site communication setup */
  51 void dd_clear_local_vsite_indices(struct gmx_domdec_t *dd);
  52
  53 /*! \brief Sets up communication and atom indices for all local vsites */
  54 int dd_make_local_vsites(struct gmx_domdec_t *dd, int at_start,
  55                          struct t_ilist *lil);
  56
  57 /*! \brief Initializes the data structures for virtual site communication */
  58 void init_domdec_vsites(struct gmx_domdec_t *dd, int n_intercg_vsite);
  59
  60 #endif