<s>
Large-scale	B-Application
Atomic/Molecular	I-Application
Massively	I-Application
Parallel	I-Application
Simulator	I-Application
(	O
LAMMPS	B-Application
)	O
is	O
a	O
molecular	O
dynamics	O
program	O
from	O
Sandia	O
National	O
Laboratories	O
.	O
</s>
<s>
LAMMPS	B-Application
makes	O
use	O
of	O
Message	B-Application
Passing	I-Application
Interface	I-Application
(	O
MPI	O
)	O
for	O
parallel	O
communication	O
and	O
is	O
free	B-License
and	I-License
open-source	I-License
software	I-License
,	O
distributed	O
under	O
the	O
terms	O
of	O
the	O
GNU	B-License
General	I-License
Public	I-License
License	I-License
.	O
</s>
<s>
LAMMPS	B-Application
was	O
originally	O
developed	O
under	O
a	O
Cooperative	O
Research	O
and	O
Development	O
Agreement	O
(	O
CRADA	O
)	O
between	O
two	O
laboratories	O
from	O
United	O
States	O
Department	O
of	O
Energy	O
and	O
three	O
other	O
laboratories	O
from	O
private	O
sector	O
firms	O
.	O
</s>
<s>
For	O
computing	O
efficiency	O
,	O
LAMMPS	B-Application
uses	O
neighbor	B-Algorithm
lists	I-Algorithm
(	O
Verlet	B-Algorithm
lists	I-Algorithm
)	O
to	O
keep	O
track	O
of	O
nearby	O
particles	O
.	O
</s>
<s>
On	O
parallel	B-Operating_System
computers	I-Operating_System
,	O
LAMMPS	B-Application
uses	O
spatial-decomposition	O
techniques	O
to	O
partition	O
the	O
simulation	O
domain	O
into	O
small	O
3d	O
sub-domains	O
,	O
one	O
of	O
which	O
is	O
assigned	O
to	O
each	O
processor	O
.	O
</s>
<s>
LAMMPS	B-Application
is	O
most	O
efficient	O
(	O
in	O
a	O
parallel	B-Operating_System
computing	I-Operating_System
sense	O
)	O
for	O
systems	O
whose	O
particles	O
fill	O
a	O
3D	O
rectangular	O
box	O
with	O
approximately	O
uniform	O
density	O
.	O
</s>
<s>
LAMMPS	B-Application
also	O
allows	O
for	O
coupled	O
spin	O
and	O
molecular	O
dynamics	O
in	O
an	O
accelerated	O
fashion	O
.	O
</s>
<s>
LAMMPS	B-Application
is	O
coupled	O
to	O
many	O
analysis	O
tools	O
and	O
engines	O
as	O
well	O
.	O
</s>
