ComputeGroupRes1GroupCUDAKernel.h

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#ifndef GROUP_RESTRAINTS_1GROUP_CUDA_KERNEL_H
#define GROUP_RESTRAINTS_1GROUP_CUDA_KERNEL_H

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

#ifdef NODEGROUP_FORCE_REGISTER
void computeDistCOM
(
  const int         numRestrainedGroup,
  double3*          d_curCM,
  double3**         d_peerCOM,
  const int         numDevices,
  cudaStream_t      stream);

void copyDistCOM
(
  const int         numRestrainedGroup,
  double3**         d_peerCOM,
  double3*          h_peerCOM,
  const int         numDevices,
  cudaStream_t      stream);

void computeLocalCOM
(
    const int         numRestrainedGroup,
    const double      inv_group2_mass,
    const int*        d_groupAtomsSOAIndex,
    const Lattice     &lat,
    const char3*      d_transform,
    const float*      d_mass,
    const double*     d_pos_x,
    const double*     d_pos_y,
    const double*     d_pos_z,
    double3*          h_group2COM,
    double3*          d_group2COM,
    unsigned int*     d_tbcatomic,
    cudaStream_t      stream);


void computeGroupRestraint_1Group(
    const bool        mGpuOn,
    const int         useMagnitude,
    const int         doEnergy,
    const int         doVirial, 
    const int         numRestrainedGroup,
    const int         restraintExp,
    const double      restraintK,
    const double3     resCenterVec,
    const double3     resDirection,
    const double      inv_group2_mass,
    const int*        d_groupAtomsSOAIndex,
    const Lattice     &lat,
    const char3*      d_transform,
    const float*      d_mass,
    const double*     d_pos_x,
    const double*     d_pos_y,
    const double*     d_pos_z,
    double*           d_f_normal_x,
    double*           d_f_normal_y,
    double*           d_f_normal_z,
    cudaTensor*       d_virial,
    cudaTensor*       h_extVirial,
    double*           h_resEnergy,
    double3*          h_resForce,
    double3*          h_group1COMRef,
    double3*          h_group2COM,
    double3*          h_diffCOM,
    double3**         d_peer2COM,
    double3*          d_group2COM,
    unsigned int*     d_tbcatomic,
    int               numDevices,
    cudaStream_t      stream);

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

void computeCOMMgpu(
  const int         numAtoms,
  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_AtomsSOAIndex,
  double3*          d_peerCOM,
  double3**         d_peer_CM,
  unsigned int*     d_tbcatomic,
  const int         numDevices,
  const int         deviceIndex,
  cudaStream_t      stream);

#endif // NODEGROUP_FORCE_REGISTER
#endif // GROUP_RESTRAINTS_1GROUP_CUDA_KERNEL_H