nstencil_half_ghost_bin_3d_newtoff.cpp
2c93065786a1lammm-devel

nstencil_half_ghost_bin_3d_newtoff.cpp
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			/* ----------------------------------------------------------------------
			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++] = kmbinymbinx + j*mbinx + i;
			}
			}