Removing redundant stencils
This commit is contained in:
Joel Clemmer
@ -1,37 +0,0 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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_newtoff.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfBin2dNewtoff::NStencilHalfBin2dNewtoff(LAMMPS *lmp) :
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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 NStencilHalfBin2dNewtoff::create()
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{
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int i,j;
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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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@ -1,38 +0,0 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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_3d_newtoff.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfBin3dNewtoff::NStencilHalfBin3dNewtoff(LAMMPS *lmp) :
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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 NStencilHalfBin3dNewtoff::create()
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{
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int i,j,k;
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nstencil = 0;
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for (k = -sz; k <= sz; k++)
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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,k) < cutneighmaxsq)
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stencil[nstencil++] = k*mbiny*mbinx + j*mbinx + i;
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}
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@ -1,44 +0,0 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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_ghost_bin_2d_newtoff.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfGhostBin2dNewtoff::
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NStencilHalfGhostBin2dNewtoff(LAMMPS *lmp) : NStencil(lmp)
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{
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xyzflag = 1;
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}
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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 NStencilHalfGhostBin2dNewtoff::create()
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{
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int i,j;
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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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stencilxyz[nstencil][0] = i;
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stencilxyz[nstencil][1] = j;
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stencilxyz[nstencil][2] = 0;
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stencil[nstencil++] = j*mbinx + i;
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}
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}
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@ -1,45 +0,0 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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_ghost_bin_3d_newtoff.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfGhostBin3dNewtoff::
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NStencilHalfGhostBin3dNewtoff(LAMMPS *lmp) : NStencil(lmp)
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{
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xyzflag = 1;
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}
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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 NStencilHalfGhostBin3dNewtoff::create()
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{
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int i,j,k;
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nstencil = 0;
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for (k = -sz; k <= sz; k++)
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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,k) < cutneighmaxsq) {
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stencilxyz[nstencil][0] = i;
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stencilxyz[nstencil][1] = j;
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stencilxyz[nstencil][2] = k;
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stencil[nstencil++] = k*mbiny*mbinx + j*mbinx + i;
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}
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}
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@ -1,51 +0,0 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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_multi_2d_newtoff.h"
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#include "atom.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfMulti2dNewtoff::
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NStencilHalfMulti2dNewtoff(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 NStencilHalfMulti2dNewtoff::create()
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{
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int i,j,n;
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double rsq,typesq;
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int *s;
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double *distsq;
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int ntypes = atom->ntypes;
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for (int itype = 1; itype <= ntypes; itype++) {
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typesq = cuttypesq[itype];
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s = stencil_multi[itype];
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distsq = distsq_multi[itype];
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n = 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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rsq = bin_distance(i,j,0);
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if (rsq < typesq) {
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distsq[n] = rsq;
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s[n++] = j*mbinx + i;
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}
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}
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nstencil_multi[itype] = n;
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}
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}
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@ -1,52 +0,0 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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_multi_3d_newtoff.h"
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#include "atom.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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NStencilHalfMulti3dNewtoff::
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NStencilHalfMulti3dNewtoff(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 NStencilHalfMulti3dNewtoff::create()
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{
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int i,j,k,n;
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double rsq,typesq;
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int *s;
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double *distsq;
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int ntypes = atom->ntypes;
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for (int itype = 1; itype <= ntypes; itype++) {
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typesq = cuttypesq[itype];
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s = stencil_multi[itype];
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distsq = distsq_multi[itype];
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n = 0;
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for (k = -sz; k <= sz; k++)
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for (j = -sy; j <= sy; j++)
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for (i = -sx; i <= sx; i++) {
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rsq = bin_distance(i,j,k);
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if (rsq < typesq) {
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distsq[n] = rsq;
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s[n++] = k*mbiny*mbinx + j*mbinx + i;
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}
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}
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nstencil_multi[itype] = n;
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}
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}
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