<s>
NanoLanguage	B-Application
is	O
a	O
scripting	B-Language
interface	O
built	O
on	O
top	O
of	O
the	O
interpreted	B-Application
programming	I-Application
language	I-Application
Python	B-Language
,	O
and	O
is	O
primarily	O
intended	O
for	O
simulation	O
of	O
physical	O
and	O
chemical	O
properties	O
of	O
nanoscale	O
systems	O
.	O
</s>
<s>
Over	O
the	O
years	O
,	O
several	O
electronic-structure	O
codes	O
based	O
on	O
density	O
functional	O
theory	O
have	O
been	O
developed	O
by	O
different	O
groups	O
of	O
academic	O
researchers	O
;	O
VASP	B-Application
,	O
Abinit	B-Application
,	O
SIESTA	B-Application
,	O
and	O
Gaussian	B-Application
are	O
just	O
a	O
few	O
examples	O
.	O
</s>
<s>
NanoLanguage	B-Application
was	O
introduced	O
by	O
Atomistix	O
A/S	O
as	O
an	O
interface	O
to	O
Atomistix	B-Application
ToolKit	I-Application
(	O
version	O
2.1	O
)	O
in	O
order	O
to	O
provide	O
a	O
more	O
flexible	O
input	O
format	O
.	O
</s>
<s>
A	O
NanoLanguage	B-Application
script	O
(	O
or	O
input	O
file	O
)	O
is	O
just	O
a	O
Python	B-Language
program	I-Language
and	O
can	O
be	O
anything	O
from	O
a	O
few	O
lines	O
to	O
a	O
script	O
performing	O
complex	O
numerical	O
simulations	O
,	O
communicating	O
with	O
other	O
scripts	O
and	O
files	O
,	O
and	O
communicating	O
with	O
other	O
software	O
(	O
e.g.	O
</s>
<s>
NanoLanguage	B-Application
is	O
not	O
a	O
proprietary	O
product	O
of	O
Atomistix	O
and	O
can	O
be	O
used	O
as	O
an	O
interface	O
to	O
other	O
density	O
functional	O
theory	O
codes	O
as	O
well	O
as	O
to	O
codes	O
utilizing	O
e.g.	O
</s>
<s>
Built	O
on	O
top	O
of	O
Python	B-Language
,	O
NanoLanguage	B-Application
includes	O
the	O
same	O
functionality	O
as	O
Python	B-Language
and	O
with	O
the	O
same	O
syntax	O
.	O
</s>
<s>
Hence	O
,	O
NanoLanguage	B-Application
contains	O
,	O
among	O
other	O
features	O
,	O
common	O
programming	O
elements	O
(	O
for	B-Language
loops	I-Language
,	O
if	B-Language
statements	I-Language
,	O
etc	O
.	O
</s>
<s>
)	O
,	O
mathematical	O
functions	O
,	O
and	O
data	O
arrays	B-Data_Structure
.	O
</s>
<s>
In	O
addition	O
,	O
a	O
number	O
of	O
concepts	O
and	O
objects	O
relevant	O
to	O
quantum	O
chemistry	O
and	O
physics	O
are	O
built	O
into	O
NanoLanguage	B-Application
,	O
e.g.	O
</s>
<s>
This	O
NanoLanguage	B-Application
script	O
uses	O
the	O
Kohn	O
–	O
Sham	O
method	O
to	O
calculate	O
the	O
total	O
energy	O
of	O
a	O
water	O
molecule	O
as	O
a	O
function	O
of	O
the	O
bending	O
angle	O
.	O
</s>
