/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator Original Version: http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. ----------------------------------------------------------------------- USER-CUDA Package and associated modifications: https://sourceforge.net/projects/lammpscuda/ Christian Trott, christian.trott@tu-ilmenau.de Lars Winterfeld, lars.winterfeld@tu-ilmenau.de Theoretical Physics II, University of Technology Ilmenau, Germany See the README file in the USER-CUDA directory. This software is distributed under the GNU General Public License. ------------------------------------------------------------------------- */ #include "cuda_shared.h" extern "C" void Cuda_FixShakeCuda_Init(cuda_shared_data* sdata,X_FLOAT dtv, F_FLOAT dtfsq, void* shake_flag,void* shake_atom,void* shake_type, void* xshake, void* bond_distance,void* angle_distance,void* virial, int max_iter,X_FLOAT tolerance); extern "C" void Cuda_FixShakeCuda_UnconstrainedUpdate(cuda_shared_data* sdata); extern "C" void Cuda_FixShakeCuda_Shake(cuda_shared_data* sdata,int vflag,int vflag_atom,int* list,int nlist); extern "C" int Cuda_FixShakeCuda_PackComm(cuda_shared_data* sdata,int n,int iswap,void* buf_send,int* pbc,int pbc_flag); extern "C" int Cuda_FixShakeCuda_PackComm_Self(cuda_shared_data* sdata,int n,int iswap,int first,int* pbc,int pbc_flag); extern "C" void Cuda_FixShakeCuda_UnpackComm(cuda_shared_data* sdata,int n,int first,void* buf_recv);