lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36

/* ----------------------------------------------------------------------
   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_full_bin_2d.h"

using namespace LAMMPS_NS;

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

NStencilFullBin2d::NStencilFullBin2d(LAMMPS *lmp) : NStencil(lmp) {}

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

void NStencilFullBin2d::create()
{
  int i,j;

  nstencil = 0;

  for (j = -sy; j <= sy; j++)
    for (i = -sx; i <= sx; i++)
      if (bin_distance(i,j,0) < cutneighmaxsq)
        stencil[nstencil++] = j*mbinx + i;
}