44 lines
1.6 KiB
C++
44 lines
1.6 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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LAMMPS development team: developers@lammps.org
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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_2d_tri.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfBin2dTri::NStencilHalfBin2dTri(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 NStencilHalfBin2dTri::create()
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{
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int i, j;
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// for triclinic, need to use full stencil in all dims
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// not a half stencil in y
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// b/c transforming orthog -> lambda -> orthog for ghost atoms
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// with an added PBC offset can shift both coords by epsilon
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// thus for an I/J owned/ghost pair, the xy coords
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// and bin assignments can be different on I proc vs J proc
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nstencil = 0;
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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 (bin_distance(i, j, 0) < cutneighmaxsq)
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stencil[nstencil++] = j * mbinx + i;
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}
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