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39 * \brief This file declares functions for domdec to use
40 * while managing inter-atomic constraints.
42 * \author Berk Hess <hess@kth.se>
43 * \ingroup module_domdec
46 #ifndef GMX_DOMDEC_DOMDEC_CONSTRAINTS_H
47 #define GMX_DOMDEC_DOMDEC_CONSTRAINTS_H
58 /*! \brief Clears the local indices for the constraint communication setup */
59 void dd_clear_local_constraint_indices(gmx_domdec_t
* dd
);
61 /*! \brief Sets up communication and atom indices for all local+connected constraints */
62 int dd_make_local_constraints(struct gmx_domdec_t
* dd
,
64 const struct gmx_mtop_t
* mtop
,
66 gmx::Constraints
* constr
,
68 struct t_ilist
* il_local
);
70 /*! \brief Initializes the data structures for constraint communication */
71 void init_domdec_constraints(gmx_domdec_t
* dd
, const gmx_mtop_t
* mtop
);