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/dports/science/gromacs/gromacs-2021.4/src/gromacs/ewald/
H A Dpme_internal.h126 struct pme_overlap_t struct
128 MPI_Comm mpi_comm; //!< MPI communcator
129 int nnodes; //!< Number of ranks
130 int nodeid; //!< Unique rank identifcator
131 std::vector<int> s2g0; //!< The local interpolation grid start
132 std::vector<int> s2g1; //!< The local interpolation grid end
133 int send_size; //!< Send buffer width, used with OpenMP
134 std::vector<pme_grid_comm_t> comm_data; //!< All the individual communication data for each rank
135 std::vector<real> sendbuf; //!< Shared buffer for sending
136 std::vector<real> recvbuf; //!< Shared buffer for receiving