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nstencil_half_bin_3d_newton_tri.cpp
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Created
Mon, Nov 18, 11:20
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1 KB
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text/x-c
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Wed, Nov 20, 11:20 (2 d)
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blob
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rLAMMPS lammps
nstencil_half_bin_3d_newton_tri.cpp
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/* ----------------------------------------------------------------------
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_newton_tri.h"
#include "neighbor.h"
#include "neigh_list.h"
using
namespace
LAMMPS_NS
;
/* ---------------------------------------------------------------------- */
NStencilHalfBin3dNewtonTri
::
NStencilHalfBin3dNewtonTri
(
LAMMPS
*
lmp
)
:
NStencil
(
lmp
)
{}
/* ----------------------------------------------------------------------
create stencil based on bin geometry and cutoff
------------------------------------------------------------------------- */
void
NStencilHalfBin3dNewtonTri
::
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
(
bin_distance
(
i
,
j
,
k
)
<
cutneighmaxsq
)
stencil
[
nstencil
++
]
=
k
*
mbiny
*
mbinx
+
j
*
mbinx
+
i
;
}
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