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37 * \brief Declares GPU implementations of backend-specific update-constraints functions.
39 * \author Artem Zhmurov <zhmurov@gmail.com>
41 * \ingroup module_mdlib
43 #ifndef GMX_MDLIB_UPDATE_CONSTRAIN_GPU_INTERNAL_H
44 #define GMX_MDLIB_UPDATE_CONSTRAIN_GPU_INTERNAL_H
48 #include "gromacs/gpu_utils/devicebuffer_datatype.h"
49 #include "gromacs/gpu_utils/device_stream.h"
50 #include "gromacs/gpu_utils/gputraits.h"
52 class GpuEventSynchronizer;
57 /*! \internal \brief Scaling matrix struct.
59 * \todo Should be generalized.
63 ScalingMatrix(const matrix m) :
64 xx(m[XX][XX]), yy(m[YY][YY]), zz(m[ZZ][ZZ]), yx(m[YY][XX]), zx(m[ZZ][XX]), zy(m[ZZ][YY])
67 float xx, yy, zz, yx, zx, zy;
70 /*! \brief Launches positions of velocities scaling kernel.
72 * \param[in] numAtoms Number of atoms in the system.
73 * \param[in] d_coordinates Device buffer with position or velocities to be scaled.
74 * \param[in] mu Scaling matrix.
75 * \param[in] deviceStream Stream to launch kernel in.
77 void launchScaleCoordinatesKernel(int numAtoms,
78 DeviceBuffer<Float3> d_coordinates,
79 const ScalingMatrix& mu,
80 const DeviceStream& deviceStream);
84 #endif // GMX_MDLIB_UPDATE_CONSTRAIN_GPU_INTERNAL_H