Page MenuHomec4science

pair_tersoff_cuda_cu.h
No OneTemporary

File Metadata

Created
Wed, Oct 9, 14:24

pair_tersoff_cuda_cu.h

/* ----------------------------------------------------------------------
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"
struct Param_Float {
F_FLOAT lam1, lam2, lam3;
F_FLOAT c, d, h;
F_FLOAT gamma, powerm;
F_FLOAT powern, beta;
F_FLOAT biga, bigb, bigd, bigr;
F_FLOAT cut, cutsq;
F_FLOAT c1, c2, c3, c4;
int ielement, jelement, kelement;
int powermint;
//F_FLOAT Z_i,Z_j;
F_FLOAT ZBLcut, ZBLexpscale;
F_FLOAT a_ij, premult;
};
extern "C" void Cuda_PairTersoffCuda_Init(cuda_shared_data* sdata, Param_Float* params_host, void* map_host, void* elem2param_host, int nelements_h, bool zbl);
extern "C" void Cuda_PairTersoffCuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom);

Event Timeline