def test_export_import():
dyn_A = Dynamics(times, states)
dyn_A.name = "some name"
dyn_A.export("tests/data/temp.tempoDynamics", overwrite=True)
dyn_B = import_dynamics("tests/data/temp.tempoDynamics")
assert dyn_B.name == dyn_A.name
np.testing.assert_almost_equal(dyn_B.states, dyn_A.states)
def test_dynamics():
dyn_A = Dynamics()
str(dyn_A)
assert len(dyn_A) == 0
dyn_B = Dynamics(times, states)
str(dyn_B)
assert len(dyn_B) == len(times)
np.testing.assert_almost_equal(times, dyn_B.times)
np.testing.assert_almost_equal(states, dyn_B.states)
np.testing.assert_almost_equal(states[0].shape, dyn_B.shape)
dyn_B.add(other_time, other_state)
def test_dynamics_expectations():
dyn_A = Dynamics()
t, x = dyn_A.expectations()
assert t is None
assert x is None
dyn = Dynamics(times, states)
t, tr = dyn.expectations()
np.testing.assert_almost_equal(t, dyn.times)
np.testing.assert_almost_equal(tr, [1.0, 1.0])
t, y = dyn.expectations([[0, -1j], [1j, 0]], real=True)
np.testing.assert_almost_equal(t, dyn.times)
np.testing.assert_almost_equal(y, [0, 0.2])
t, lower = dyn.expectations([[0, 0], [1, 0]])
np.testing.assert_almost_equal(t, dyn.times)
np.testing.assert_almost_equal(lower, [0, -0.1j])
with pytest.raises(AssertionError):
dyn.expectations("bla")
def compute_dynamics_from_system(
self,
system: BaseSystem,
initial_state: Optional[ndarray] = None) -> Dynamics:
"""
Compute the system dynamics for a given system Hamiltonian.
Parameters
----------
system: BaseSystem
Object containing the system Hamiltonian information.
Returns
-------
dynamics: Dynamics
The system dynamics for the given system Hamiltonian
(accounting for the interaction with the environment).
"""
assert isinstance(system, BaseSystem), \
"Parameter `system` is not of type `tempo.BaseSystem`."
dimension = system.dimension
if initial_state is None:
initial_state_vector = None
else:
try:
_initial_state = np.array(initial_state, dtype=NpDtype)
_initial_state.setflags(write=False)
except Exception as e:
raise AssertionError("Initial state must be numpy array.") \
from e
assert len(_initial_state.shape) == 2, \
"Initial state is not a matrix."
assert _initial_state.shape[0] == \
_initial_state.shape[1], \
"Initial state is not a square matrix."
initial_state_vector = _initial_state.reshape(dimension**2)
def propagators(step: int):
"""Create the system propagators (first and second half) for the
time step `step`. """
dt = self._times_array[step + 1] - self._times_array[step]
t = self._times_array[step]
first_step = expm(system.liouvillian(t + dt / 4.0) * dt / 2.0).T
second_step = expm(
system.liouvillian(t + dt * 3.0 / 4.0) * dt / 2.0).T
return first_step, second_step
state_vectors = self._backend_instance.compute_dynamics(
controls=propagators, initial_state=initial_state_vector)
states = [v.reshape((dimension, dimension)) for v in state_vectors]
times = list(self._times_array)
dyn = Dynamics(times=times, states=states)
return dyn
def _init_dynamics(self):
"""Create a Dynamics object with metadata from the Tempo object. """
name = None
description = "computed from '{}' tempo".format(self.name)
description_dict = {
"tempo_type":str(type(self)),
"tempo_name":self.name,
"tempo_description":self.description,
"tempo_description_dict":self.description_dict,
"parameters_type":str(type(self._parameters)),
"parameters_name":self._parameters.name,
"parameters_description":self._parameters.description,
"parameters_description_dict":self._parameters.description_dict,
"system_type":str(type(self._system)),
"system_name":self._system.name,
"system_description":self._system.description,
"system_description_dict":self._system.description_dict,
"bath_type":str(type(self._bath)),
"bath_name":self._bath.name,
"bath_description":self._bath.description,
"bath_description_dict":self._bath.description_dict,
"correlations_type":str(type(self._bath.correlations)),
"correlations_name": \
self._bath.correlations.name,
"correlations_description": \
self._bath.correlations.description,
"correlations_description_dict": \
self._bath.correlations.description_dict,
"backend_class":str(self._backend_class),
"initial_state":self._initial_state,
"dt":self._parameters.dt,
"dkmax":self._parameters.dkmax,
"epsrel":self._parameters.epsrel,
}
self._dynamics = Dynamics(name=name,
description=description,
description_dict=description_dict)
class Tempo(BaseAPIClass):
"""
Class representing the entire TEMPO tensornetwork as introduced in
[Strathearn2018].
Parameters
----------
system: BaseSystem
The system.
bath: Bath
The Bath (includes the coupling operator to the sytem).
parameters: TempoParameters
The parameters for the TEMPO computation.
initial_state: ndarray
The initial density matrix of the sytem.
start_time: float
The start time.
backend: str (default = None)
The name of the backend to use for the computation. If
`backend` is ``None`` then the default backend is used.
backend_config: dict (default = None)
The configuration of the backend. If `backend_config` is
``None`` then the default backend configuration is used.
name: str (default = None)
An optional name for the tempo object.
description: str (default = None)
An optional description of the tempo object.
description_dict: dict (default = None)
An optional dictionary with descriptive data.
"""
def __init__(self,
system: BaseSystem,
bath: Bath,
parameters: TempoParameters,
initial_state: ndarray,
start_time: float,
backend: Optional[Text] = None,
backend_config: Optional[Dict] = None,
name: Optional[Text] = None,
description: Optional[Text] = None,
description_dict: Optional[Dict] = None) -> None:
"""Create a Tempo object. """
self._backend_class, self._backend_config = \
get_tempo_backend(backend, backend_config)
assert isinstance(system, BaseSystem), \
"Argument 'system' must be an instance of BaseSystem."
self._system = system
assert isinstance(bath, Bath), \
"Argument 'bath' must be an instance of Bath."
self._bath = bath
assert isinstance(parameters, TempoParameters), \
"Argument 'parameters' must be an instance of TempoParameters."
self._parameters = parameters
try:
__initial_state = np.array(initial_state, dtype=NpDtype)
__initial_state.setflags(write=False)
except Exception as e:
raise AssertionError("Initial state must be numpy array.") from e
assert len(__initial_state.shape) == 2, \
"Initial state is not a matrix."
assert __initial_state.shape[0] == \
__initial_state.shape[1], \
"Initial state is not a square matrix."
self._initial_state = __initial_state
self._dimension = self._initial_state.shape[0]
try:
__start_time = float(start_time)
except Exception as e:
raise AssertionError("Start time must be a float.") from e
self._start_time = __start_time
assert self._bath.dimension == self._dimension and \
self._system.dimension == self._dimension, \
"Hilbertspace dimensions are unequal: " \
+ "system ({}), ".format(self._system.dimension) \
+ "initial state ({}), ".format(self._dimension) \
+ "and bath coupling ({}), ".format(self._bath.dimension)
super().__init__(name, description, description_dict)
__coupling_comm = commutator(self._bath._coupling_operator)
__coupling_acomm = acommutator(self._bath._coupling_operator)
self._coupling_comm = __coupling_comm.diagonal()
self._coupling_acomm = __coupling_acomm.diagonal()
self._dynamics = None
self._backend_instance = None
self._init_tempo_backend()
def _init_tempo_backend(self):
"""Create and initialize the tempo backend. """
dim = self._dimension
initial_state = self._initial_state.reshape(dim**2)
influence = self._influence
unitary_transform = self._bath.unitary_transform
propagators = self._propagators
sum_north = np.array([1.0] * (dim**2))
sum_west = np.array([1.0] * (dim**2))
dkmax = self._parameters.dkmax
epsrel = self._parameters.epsrel
self._backend_instance = self._backend_class(
initial_state,
influence,
unitary_transform,
propagators,
sum_north,
sum_west,
dkmax,
epsrel,
config=self._backend_config)
def _init_dynamics(self):
"""Create a Dynamics object with metadata from the Tempo object. """
name = None
description = "computed from '{}' tempo".format(self.name)
description_dict = {
"tempo_type":str(type(self)),
"tempo_name":self.name,
"tempo_description":self.description,
"tempo_description_dict":self.description_dict,
"parameters_type":str(type(self._parameters)),
"parameters_name":self._parameters.name,
"parameters_description":self._parameters.description,
"parameters_description_dict":self._parameters.description_dict,
"system_type":str(type(self._system)),
"system_name":self._system.name,
"system_description":self._system.description,
"system_description_dict":self._system.description_dict,
"bath_type":str(type(self._bath)),
"bath_name":self._bath.name,
"bath_description":self._bath.description,
"bath_description_dict":self._bath.description_dict,
"correlations_type":str(type(self._bath.correlations)),
"correlations_name": \
self._bath.correlations.name,
"correlations_description": \
self._bath.correlations.description,
"correlations_description_dict": \
self._bath.correlations.description_dict,
"backend_class":str(self._backend_class),
"initial_state":self._initial_state,
"dt":self._parameters.dt,
"dkmax":self._parameters.dkmax,
"epsrel":self._parameters.epsrel,
}
self._dynamics = Dynamics(name=name,
description=description,
description_dict=description_dict)
def _influence(self, dk: int):
"""Create the influence functional matrix for a time step distance
of dk. """
if dk == 0:
shape = "upper-triangle"
else:
shape = "square"
dt = self._parameters.dt
eta_dk = self._bath.correlations.correlation_2d_integral( \
time_1=float(dk)*dt,
delta=dt,
shape=shape,
epsrel=self._parameters.epsrel)
op_p = self._coupling_acomm
op_m = self._coupling_comm
if dk == 0:
infl = np.diag(np.exp(-op_m*(eta_dk.real*op_m \
+ 1j*eta_dk.imag*op_p)))
else:
infl = np.exp(-np.outer(eta_dk.real*op_m \
+ 1j*eta_dk.imag*op_p, op_m))
return infl
def _propagators(self, step: int):
"""Create the system propagators (first and second half) for the time
step `step`. """
dt = self._parameters.dt
t = self._time(step)
first_step = expm(self._system.liouvillian(t + dt / 4.0) * dt / 2.0).T
second_step = expm(
self._system.liouvillian(t + dt * 3.0 / 4.0) * dt / 2.0).T
return first_step, second_step
def _time(self, step: int):
"""Return the time that corresponds to the time step `step`. """
return self._start_time + float(step) * self._parameters.dt
@property
def dimension(self) -> ndarray:
"""Hilbert space dimension. """
return copy(self._dimension)
def compute(self, end_time: float, progress_type: Text = None) -> None:
"""
Propagate (or continue to propagete) the TEMPO tensor network to
time `end_time`.
Parameters
----------
end_time: float
The time to which the TEMPO should be computed.
progress_type: str (default = None)
The progress report type during the computation. Types are:
{``silent``, ``simple`, ``bar``}. If `None` then
the default progress type is used.
"""
try:
__end_time = float(end_time)
except Exception as e:
raise AssertionError("End time must be a float.") from e
dim = self._dimension
if self._backend_instance.step is None:
step, state = self._backend_instance.initialize()
self._init_dynamics()
self._dynamics.add(self._time(step), state.reshape(dim, dim))
start_step = self._backend_instance.step
end_step = int((end_time - self._start_time) / self._parameters.dt)
num_step = max(0, end_step - start_step)
progress = get_progress(progress_type)
with progress(num_step) as prog_bar:
while self._time(self._backend_instance.step) < __end_time:
step, state = self._backend_instance.compute_step()
self._dynamics.add(self._time(step), state.reshape(dim, dim))
prog_bar.update(self._backend_instance.step - start_step)
prog_bar.update(self._backend_instance.step - start_step)
def get_dynamics(self) -> Dynamics:
"""Returns a copy of the computed dynamics. """
return copy(self._dynamics)
def test_dynamics_bad_input():
with pytest.raises(AssertionError):
Dynamics(0.1, states)
with pytest.raises(AssertionError):
Dynamics(times, 0.1)
with pytest.raises(AssertionError):
Dynamics([other_time], states)
dyn_A = Dynamics(times, states)
with pytest.raises(AssertionError):
dyn_A.add("bla", other_state)
with pytest.raises(AssertionError):
dyn_A.add(other_time, "bla")
with pytest.raises(AssertionError):
dyn_A.add(other_time, np.random.rand(3, 3))
dyn_B = Dynamics()
with pytest.raises(AssertionError):
dyn_A.add(other_time, np.random.rand(2, 2, 2))
with pytest.raises(AssertionError):
dyn_A.add(other_time, np.random.rand(3, 2))