pme_spread_sycl.h File Reference

#include "gromacs/gpu_utils/syclutils.h"
#include "pme_gpu_types_host.h"
#include "pme_grid.h"

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Description

Implements PME GPU spline calculation and charge spreading in SYCL. TODO: consider always pre-sorting particles (as in DD case).

Author

Andrey Alekseenko al42a.nosp@m.nd@g.nosp@m.mail..nosp@m.com