ComputeSMDCUDAKernel.h

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#ifndef SMDKERNEL_H
#define SMDKERNEL_H

#include "Lattice.h"
#include "CudaUtils.h"
#include "CudaRecord.h"

#ifdef NODEGROUP_FORCE_REGISTER

void computeSMDForce(
  const Lattice     &lat, 
  const double      inv_group_mass,
  const double      spring_constant,
  const double      transverse_spring_constant, 
  const double      velocity, 
  const double3     direction,
  const int         doEnergy, 
  const int         currentTime,
  const bool        mGpuOn,
  const double3     origCM,  
  const float*      d_mass, 
  const double*     d_pos_x, 
  const double*     d_pos_y,
  const double*     d_pos_z, 
  const char3*      d_transform, 
  double *          d_f_normal_x, 
  double *          d_f_normal_y, 
  double *          d_f_normal_z, 
  const int         numSMDAtoms, 
  const int*        d_smdAtomsSOAIndex,
  double3*          d_curCM, 
  double3*          h_curCM,
  double3**         d_peerCOM,
  cudaTensor*       d_extVirial,
  double*           h_extEnergy,  
  double3*          h_extForce, 
  cudaTensor*       h_extVirial, 
  unsigned int*     d_tbcatomic,
  const int         numDevices,
  const int         deviceIndex,
  cudaStream_t      stream);

void initPeerCOMmgpu(
                 const int numDevices,
                 const int deviceIndex,
                 double3** d_peerPool,
                 double3*  d_peerCOM,
                 cudaStream_t      stream);

void computeCOMSMDMgpu(
  const int         numSMDAtoms,
  const Lattice     &lat,
  const float*      d_mass,
  const double*     d_pos_x,
  const double*     d_pos_y,
  const double*     d_pos_z,
  const char3*      d_transform,
  const int*        d_smdAtomsSOAIndex,
  double3*          d_peerCOM,
  double3**         d_peer_curCM,
  unsigned int*     d_tbcatomic,
  const int         numDevices,
  const int         deviceIndex,
  cudaStream_t      stream);


#endif // NODEGROUP_FORCE_REGISTER
#endif // SMDKERNEL_H