forked from lijiext/lammps
43 lines
1.5 KiB
C
43 lines
1.5 KiB
C
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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Original Version:
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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See the README file in the top-level LAMMPS directory.
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-----------------------------------------------------------------------
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USER-CUDA Package and associated modifications:
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https://sourceforge.net/projects/lammpscuda/
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Christian Trott, christian.trott@tu-ilmenau.de
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Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
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Theoretical Physics II, University of Technology Ilmenau, Germany
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See the README file in the USER-CUDA directory.
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This software is distributed under the GNU General Public License.
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------------------------------------------------------------------------- */
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#include "cuda_shared.h"
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struct Param_Float {
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F_FLOAT lam1,lam2,lam3;
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F_FLOAT c,d,h;
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F_FLOAT gamma,powerm;
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F_FLOAT powern,beta;
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F_FLOAT biga,bigb,bigd,bigr;
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F_FLOAT cut,cutsq;
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F_FLOAT c1,c2,c3,c4;
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int ielement,jelement,kelement;
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int powermint;
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//F_FLOAT Z_i,Z_j;
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F_FLOAT ZBLcut,ZBLexpscale;
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F_FLOAT a_ij,premult;
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};
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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);
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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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