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#include <memory>
#include "gromacs/domdec/hashedmap.h"
#include "gromacs/utility/arrayref.h"
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This file declares functions for domdec to use while managing inter-atomic constraints.

Berk Hess


struct  gmx_domdec_constraints_t
 Struct used during constraint setup with domain decomposition. More...


void dd_clear_local_constraint_indices (gmx_domdec_t *dd)
 Clears the local indices for the constraint communication setup.
int dd_make_local_constraints (struct gmx_domdec_t *dd, int at_start, const struct gmx_mtop_t &mtop, gmx::ArrayRef< const int64_t > atomInfo, gmx::Constraints *constr, int nrec, gmx::ArrayRef< InteractionList > il_local)
 Sets up communication and atom indices for all local+connected constraints.
void init_domdec_constraints (gmx_domdec_t *dd, const gmx_mtop_t &mtop)
 Initializes the data structures for constraint communication.