55 lines
1.6 KiB
C++
55 lines
1.6 KiB
C++
/* ----------------------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
https://www.lammps.org/, Sandia National Laboratories
|
|
LAMMPS development team: developers@lammps.org
|
|
|
|
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_ghost_bin_intel.h"
|
|
|
|
using namespace LAMMPS_NS;
|
|
|
|
/* ---------------------------------------------------------------------- */
|
|
|
|
template<int DIM_3D>
|
|
NStencilGhostBinIntel<DIM_3D>::NStencilGhostBinIntel(LAMMPS *lmp) : NStencil(lmp)
|
|
{
|
|
xyzflag = 1;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
create stencil based on bin geometry and cutoff
|
|
------------------------------------------------------------------------- */
|
|
|
|
template<int DIM_3D>
|
|
void NStencilGhostBinIntel<DIM_3D>::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;
|
|
}
|
|
}
|
|
}
|
|
}
|
|
}
|
|
|
|
namespace LAMMPS_NS {
|
|
template class NStencilGhostBinIntel<0>;
|
|
template class NStencilGhostBinIntel<1>;
|
|
}
|