forked from lijiext/lammps
43 lines
1.5 KiB
C
43 lines
1.5 KiB
C
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/* ----------------------------------------------------------------------
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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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