<s>
SHARC	O
(	O
Surface	B-Algorithm
Hopping	I-Algorithm
including	O
ARbitrary	O
Couplings	O
)	O
is	O
an	O
ab	O
initio	O
molecular	O
dynamics	O
program	O
suite	O
primarily	O
dedicated	O
to	O
study	O
the	O
excited-state	O
dynamics	O
of	O
molecules	O
.	O
</s>
<s>
It	O
is	O
free	O
for	O
academic	O
use	O
,	O
open	B-Application
source	I-Application
released	O
under	O
the	O
GNU	B-License
General	I-License
Public	I-License
License	I-License
.	O
</s>
<s>
The	O
SHARC	B-Application
molecular	I-Application
dynamics	I-Application
software	I-Application
can	O
treat	O
non-adiabatic	O
couplings	O
at	O
conical	O
intersections	O
,	O
intersystem	O
crossing	O
induced	O
by	O
spin-orbit	O
coupling	O
,	O
and	O
laser	O
couplings	O
on	O
an	O
equal	O
footing	O
.	O
</s>
<s>
It	O
has	O
interfaces	O
to	O
the	O
ab	O
initio	O
software	O
packages	O
MOLPRO	B-Application
,	O
MOLCAS	B-Application
,	O
ORCA_(quantum_chemistry_program )	O
,	O
Gaussian_(software )	O
,	O
TURBOMOLE	B-Application
,	O
COLUMBUS	B-Application
(	O
needs	O
MOLCAS	B-Application
)	O
,	O
BAGEL	O
and	O
to	O
user-created	O
LVC	O
(	O
linear	O
vibronic	O
coupling	O
)	O
models	O
,	O
to	O
machine	O
learning	O
properties	O
via	O
the	O
SchNarc	O
approach	O
,	O
as	O
well	O
as	O
to	O
a	O
tool	O
for	O
analytical	O
potentials	O
.	O
</s>
<s>
Furthermore	O
,	O
it	O
includes	O
auxiliary	O
Python	B-Language
scripts	I-Language
for	O
setup	O
,	O
maintenance	O
and	O
analysis	O
of	O
ensembles	O
of	O
trajectories	O
.	O
</s>
<s>
The	O
underlying	O
methodology	O
is	O
based	O
on	O
Surface	B-Algorithm
hopping	I-Algorithm
,	O
a	O
semiclassical	O
technique	O
in	O
computational	O
chemistry	O
.	O
</s>
