nstencil_half_bin_3d_newton.cpp
2c93065786a1lammm-devel

nstencil_half_bin_3d_newton.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_bin_3d_newton.h"
			#include "neighbor.h"
			#include "neigh_list.h"

			using namespace LAMMPS_NS;

			/* ---------------------------------------------------------------------- */

			NStencilHalfBin3dNewton::NStencilHalfBin3dNewton(LAMMPS *lmp) : NStencil(lmp) {}

			/* ----------------------------------------------------------------------
			create stencil based on bin geometry and cutoff
			------------------------------------------------------------------------- */

			void NStencilHalfBin3dNewton::create()
			{
			int i,j,k;

			nstencil = 0;

			for (k = 0; k <= sz; k++)
			for (j = -sy; j <= sy; j++)
			for (i = -sx; i <= sx; i++)
			if (k > 0 \|\| j > 0 \|\| (j == 0 && i > 0))
			if (bin_distance(i,j,k) < cutneighmaxsq)
			stencil[nstencil++] = kmbinymbinx + j*mbinx + i;
			}