Gromacs
2024.3
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#include "gmxpre.h"
#include "config.h"
#include "gromacs/gpu_utils/device_stream.h"
#include "gromacs/gpu_utils/devicebuffer_datatype.h"
#include "gromacs/nbnxm/nbnxm_gpu.h"
#include "gromacs/nbnxm/nbnxm_gpu_buffer_ops_internal.h"
Define OpenCL implementation for transforming position coordinates from rvec to nbnxm layout.
Functions | |
void | Nbnxm::launchNbnxmKernelTransformXToXq (const Grid &grid, NbnxmGpu *nb, DeviceBuffer< Float3 > d_x, const DeviceStream &deviceStream, unsigned int numColumnsMax, int gridId) |
Launch coordinate layout conversion kernel. More... | |