def get_odho():
n = 2
l = 10
grid_length = 5
num_grid_points = 1001
omega = 1
odho = GeneralOrbitalSystem(
n,
ODQD(
l, grid_length, num_grid_points, potential=ODQD.HOPotential(omega)
),
)
return odho
def get_oddw_smooth():
n = 2
l = 10
grid_length = 5
num_grid_points = 1001
a = 5
oddw_smooth = GeneralOrbitalSystem(
n,
ODQD(
l,
grid_length,
num_grid_points,
potential=ODQD.DWPotentialSmooth(a=a),
),
)
return oddw_smooth
def test_single_time_evolution_operator():
n = 4
l = 10
dim = 3
spas = SpatialOrbitalSystem(n, RandomBasisSet(l, dim))
gos = GeneralOrbitalSystem(n, RandomBasisSet(l, dim))
assert not spas.has_one_body_time_evolution_operator
assert not gos.has_one_body_time_evolution_operator
assert not spas.has_two_body_time_evolution_operator
assert not gos.has_two_body_time_evolution_operator
np.testing.assert_allclose(spas.h_t(10), spas.h)
np.testing.assert_allclose(spas.u_t(10), spas.u)
np.testing.assert_allclose(gos.h_t(10), gos.h)
np.testing.assert_allclose(gos.u_t(10), gos.u)
spas.set_time_evolution_operator(CustomOneBodyOperator(2, spas.h),
add_h_0=False)
gos.set_time_evolution_operator(CustomOneBodyOperator(3, gos.h),
add_u_0=False)
assert spas.has_one_body_time_evolution_operator
assert gos.has_one_body_time_evolution_operator
assert not spas.has_two_body_time_evolution_operator
assert not gos.has_two_body_time_evolution_operator
np.testing.assert_allclose(
spas.h_t(0),
spas.h * 2,
)
np.testing.assert_allclose(spas.u_t(0), spas.u)
np.testing.assert_allclose(
gos.h_t(0),
gos.h + gos.h * 3,
)
np.testing.assert_allclose(gos.u_t(0), np.zeros_like(gos.u))
def get_oddw():
n = 2
l = 10
grid_length = 6
num_grid_points = 1001
omega = 1
length_of_dw = 5
oddw = GeneralOrbitalSystem(
n,
ODQD(
l,
grid_length,
num_grid_points,
potential=ODQD.DWPotential(omega, length_of_dw),
),
)
return oddw
def test_multiple_time_evolution_operators():
n = 4
l = 10
dim = 3
spas = SpatialOrbitalSystem(n, RandomBasisSet(l, dim))
gos = GeneralOrbitalSystem(n, RandomBasisSet(l, dim))
assert not spas.has_one_body_time_evolution_operator
assert not gos.has_one_body_time_evolution_operator
assert not spas.has_two_body_time_evolution_operator
assert not gos.has_two_body_time_evolution_operator
spas.set_time_evolution_operator(
[
CustomOneBodyOperator(2, spas.h),
CustomOneBodyOperator(3, spas.s),
AdiabaticSwitching(2),
],
add_u_0=False,
)
gos.set_time_evolution_operator(
(
CustomOneBodyOperator(1, gos.h),
CustomOneBodyOperator(3, gos.s),
CustomOneBodyOperator(-2, gos.position[0]),
),
add_h_0=False,
)
assert spas.has_one_body_time_evolution_operator
assert gos.has_one_body_time_evolution_operator
assert spas.has_two_body_time_evolution_operator
assert not gos.has_two_body_time_evolution_operator
np.testing.assert_allclose(
spas.h_t(0),
spas.h + spas.h * 2 + spas.s * 3,
)
np.testing.assert_allclose(spas.u_t(0), 2 * spas.u)
np.testing.assert_allclose(
gos.h_t(0),
gos.h + gos.s * 3 - gos.position[0] * 2,
)
np.testing.assert_allclose(gos.u_t(0), gos.u)
def get_odgauss():
n = 2
l = 10
grid_length = 20
num_grid_points = 1001
weight = 1
center = 0
deviation = 2.5
odgauss = GeneralOrbitalSystem(
n,
ODQD(
l,
grid_length,
num_grid_points,
potential=ODQD.GaussianPotential(weight, center, deviation, np=np),
),
)
return odgauss
def get_tddw():
n = 2
l = 10
axis = 0
radius = 8
num_grid_points = 201
barrier_strength = 3
omega = 0.8
tddw = GeneralOrbitalSystem(
n,
TwoDimensionalDoubleWell(
l,
radius,
num_grid_points,
barrier_strength=barrier_strength,
omega=omega,
axis=axis,
),
)
return tddw
def test_single_dipole_time_evolution_operator():
n = 4
l = 10
dim = 3
omega = 0.25
spas = SpatialOrbitalSystem(n, RandomBasisSet(l, dim))
gos = GeneralOrbitalSystem(n, RandomBasisSet(l, dim))
field = lambda t: np.sin(omega * 2)
polarization = np.zeros(dim)
polarization[0] = 1
spas.set_time_evolution_operator(
DipoleFieldInteraction(
field,
polarization,
))
gos.set_time_evolution_operator(
DipoleFieldInteraction(
field,
polarization,
))
assert spas.has_one_body_time_evolution_operator
assert gos.has_one_body_time_evolution_operator
assert not spas.has_two_body_time_evolution_operator
assert not gos.has_two_body_time_evolution_operator
for t in [0, 0.1, 0.5, 1.3]:
np.testing.assert_allclose(
spas.h_t(t),
spas.h - field(t) * spas.dipole_moment[0],
)
np.testing.assert_allclose(
gos.h_t(t),
gos.h - field(t) * gos.dipole_moment[0],
)
np.testing.assert_allclose(spas.u_t(t), spas.u)
np.testing.assert_allclose(gos.u_t(t), gos.u)