Gromacs
2022
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#include "gromacs/gpu_utils/gmxsycl.h"
#include "gromacs/gpu_utils/syclutils.h"
#include "pme_grid.h"
#include "pme_gpu_types_host.h"
Implements PME GPU spline calculation and charge spreading in SYCL. TODO: consider always pre-sorting particles (as in DD case).