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nstencil_half_ghost_bin_3d_newtoff.cpp
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Thu, Jul 11, 13:34

nstencil_half_ghost_bin_3d_newtoff.cpp

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "nstencil_half_ghost_bin_3d_newtoff.h"
#include "neighbor.h"
#include "neigh_list.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
NStencilHalfGhostBin3dNewtoff::
NStencilHalfGhostBin3dNewtoff(LAMMPS *lmp) : NStencil(lmp)
{
xyzflag = 1;
}
/* ----------------------------------------------------------------------
create stencil based on bin geometry and cutoff
------------------------------------------------------------------------- */
void NStencilHalfGhostBin3dNewtoff::create()
{
int i,j,k;
nstencil = 0;
for (k = -sz; k <= sz; k++)
for (j = -sy; j <= sy; j++)
for (i = -sx; i <= sx; i++)
if (bin_distance(i,j,k) < cutneighmaxsq) {
stencilxyz[nstencil][0] = i;
stencilxyz[nstencil][1] = j;
stencilxyz[nstencil][2] = k;
stencil[nstencil++] = k*mbiny*mbinx + j*mbinx + i;
}
}

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