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  /*! \libinternal \file
   *
   * \brief Declarations for backend specific GPU functions for Leap-Frog.
   *
   * \author Artem Zhmurov <zhmurov@gmail.com>
   *
   * \ingroup module_mdlib
   * \inlibraryapi
   */
  #ifndef GMX_MDLIB_LEAPFROG_GPU_INTERNAL_H
  #define GMX_MDLIB_LEAPFROG_GPU_INTERNAL_H
  
  #include "gromacs/gpu_utils/devicebuffer_datatype.h"
  #include "gromacs/mdlib/leapfrog_gpu.h"
  
  namespace gmx
  {
  
  /*! \brief Backend-specific function to launch GPU Leap Frog kernel.
   *
   * \param numAtoms Total number of atoms.
   * \param[in,out] d_x Buffer containing initial coordinates, and where the updated ones will be written.
   * \param[out] d_xp Buffer where a copy of the initial coordinates will be written.
   * \param[in,out] d_v Buffer containing initial velocities, and where the updated ones will be written.
   * \param[in]  d_f Buffer containing forces.
   * \param[in] d_inverseMasses Buffer containing atoms' reciprocal masses.
   * \param dt Timestep.
   * \param doTemperatureScaling Whether temperature scaling is needed.
   * \param numTempScaleValues Number of different T-couple values.
   * \param d_tempScaleGroups Mapping of atoms into temperature scaling groups.
   * \param d_lambdas Temperature scaling factors (one per group).
   * \param prVelocityScalingType Type of Parrinello-Rahman velocity rescaling.
   * \param prVelocityScalingMatrixDiagonal Diagonal elements of Parrinello-Rahman velocity scaling matrix.
   * \param deviceStream Device stream for kernel launch.
   */
  void launchLeapFrogKernel(int                          numAtoms,
                            DeviceBuffer<Float3>         d_x,
                            DeviceBuffer<Float3>         d_xp,
                            DeviceBuffer<Float3>         d_v,
                            DeviceBuffer<Float3>         d_f,
                            DeviceBuffer<float>          d_inverseMasses,
                            float                        dt,
                            bool                         doTemperatureScaling,
                            int                          numTempScaleValues,
                            DeviceBuffer<unsigned short> d_tempScaleGroups,
                            DeviceBuffer<float>          d_lambdas,
                            VelocityScalingType          prVelocityScalingType,
                            Float3                       prVelocityScalingMatrixDiagonal,
                            const DeviceStream&          deviceStream);
  
  
  } // namespace gmx
  
  #endif
  