Introduce SimulatorBuilder
[gromacs.git] / src / gromacs / domdec / distribute.h
blobe57df9f65f259460d94e82e672b90b642b75115a
1 /*
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35 /*! \internal \file
37 * \brief Declares the atom distribution function.
39 * \author Berk Hess <hess@kth.se>
40 * \ingroup module_domdec
42 #ifndef GMX_DOMDEC_DOMDEC_DISTRIBUTE_H
43 #define GMX_DOMDEC_DOMDEC_DISTRIBUTE_H
45 #include "gromacs/math/paddedvector.h"
46 #include "gromacs/utility/basedefinitions.h"
48 struct gmx_ddbox_t;
49 struct gmx_domdec_t;
50 struct gmx_mtop_t;
51 struct t_block;
52 class t_state;
54 namespace gmx
56 class MDLogger;
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);
68 #endif