51 lines
1.6 KiB
C++
51 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_full_multi_old_2d.h"
|
|
#include "atom.h"
|
|
|
|
using namespace LAMMPS_NS;
|
|
|
|
/* ---------------------------------------------------------------------- */
|
|
|
|
NStencilFullMultiOld2d::NStencilFullMultiOld2d(LAMMPS *lmp) : NStencil(lmp) {}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
create stencil based on bin geometry and cutoff
|
|
------------------------------------------------------------------------- */
|
|
|
|
void NStencilFullMultiOld2d::create()
|
|
{
|
|
int i, j, n;
|
|
double rsq, typesq;
|
|
int *s;
|
|
double *distsq;
|
|
|
|
int ntypes = atom->ntypes;
|
|
for (int itype = 1; itype <= ntypes; itype++) {
|
|
typesq = cuttypesq[itype];
|
|
s = stencil_multi_old[itype];
|
|
distsq = distsq_multi_old[itype];
|
|
n = 0;
|
|
for (j = -sy; j <= sy; j++)
|
|
for (i = -sx; i <= sx; i++) {
|
|
rsq = bin_distance(i, j, 0);
|
|
if (rsq < typesq) {
|
|
distsq[n] = rsq;
|
|
s[n++] = j * mbinx + i;
|
|
}
|
|
}
|
|
nstencil_multi_old[itype] = n;
|
|
}
|
|
}
|