Labelling stencils half/full, removing unnecessary newton on/off designation

src/nstencil_half_bin_3d.cpp

@@ -0,0 +1,38 @@
+/* ----------------------------------------------------------------------
+   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.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+NStencilHalfBin3d::NStencilHalfBin3d(LAMMPS *lmp) : NStencil(lmp) {}
+
+/* ----------------------------------------------------------------------
+   create stencil based on bin geometry and cutoff
+------------------------------------------------------------------------- */
+
+void NStencilHalfBin3d::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++] = k*mbiny*mbinx + j*mbinx + i;
+}