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pair_tersoff_cuda_cu.h
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Tue, Oct 15, 00:17

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);

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