39 lines
1.3 KiB
C++
39 lines
1.3 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "nstencil_half_bin_3d.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfBin3d::NStencilHalfBin3d(LAMMPS *lmp) : NStencil(lmp) {}
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/* ----------------------------------------------------------------------
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create stencil based on bin geometry and cutoff
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------------------------------------------------------------------------- */
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void NStencilHalfBin3d::create()
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{
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int i, j, k;
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nstencil = 0;
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for (k = 0; k <= sz; k++)
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for (j = -sy; j <= sy; j++)
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for (i = -sx; i <= sx; i++)
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if (k > 0 || j > 0 || (j == 0 && i > 0))
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if (bin_distance(i, j, k) < cutneighmaxsq)
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stencil[nstencil++] = k * mbiny * mbinx + j * mbinx + i;
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}
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