forked from lijiext/lammps
34 lines
1.7 KiB
C
34 lines
1.7 KiB
C
|
/* ----------------------------------------------------------------------
|
||
|
|
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_PairEAMCuda_Init(cuda_shared_data* sdata, double rdr, double rdrho, int nfrho, int nrhor, int nr, int nrho, int nz2r,
|
||
|
|
void* frho_spline, void* rhor_spline, void* z2r_spline, void* rho, void* fp,
|
||
|
|
int* type2frho, int** type2z2r, int** type2rhor);
|
||
|
|
extern "C" void Cuda_PairEAM1Cuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom);
|
||
|
|
extern "C" void Cuda_PairEAM2Cuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom);
|
||
|
|
extern "C" void Cuda_PairEAMCuda_PackComm(cuda_shared_data* sdata, int n, int iswap, void* buf_send);
|
||
|
|
extern "C" void Cuda_PairEAMCuda_UnpackComm(cuda_shared_data* sdata, int n, int first, void* buf_recv, void* fp);
|
||
|
|
|
||
|
|
#define EAM_COEFF_LENGTH 8
|