settle_gpu_internal.h File Reference

#include "gromacs/gpu_utils/devicebuffer_datatype.h"
#include "gromacs/gpu_utils/gputraits.h"
#include "gromacs/mdlib/settle_gpu.h"

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Description

Declares backend-specific functions for GPU implementation of SETTLE.

Author

Artem Zhmurov zhmur.nosp@m.ov@g.nosp@m.mail..nosp@m.com

Functions
void	gmx::launchSettleGpuKernel (int numSettles, const DeviceBuffer< WaterMolecule > &d_atomIds, const SettleParameters &settleParameters, const DeviceBuffer< Float3 > &d_x, DeviceBuffer< Float3 > d_xp, bool updateVelocities, DeviceBuffer< Float3 > d_v, real invdt, bool computeVirial, DeviceBuffer< float > d_virialScaled, const PbcAiuc &pbcAiuc, const DeviceStream &deviceStream)
	Apply SETTLE. More...