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lammps/lib/cuda/fix_shake_cuda_cu.h
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fix_shake_cuda_cu.h
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/* ----------------------------------------------------------------------
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);
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