def _smepdpsolve_generic(sso, options, progress_bar):
"""
For internal use. See smepdpsolve.
"""
if debug:
logger.debug(inspect.stack()[0][3])
N_store = len(sso.times)
N_substeps = sso.nsubsteps
dt = (sso.times[1] - sso.times[0]) / N_substeps
nt = sso.ntraj
data = Result()
data.solver = "smepdpsolve"
data.times = sso.times
data.expect = np.zeros((len(sso.e_ops), N_store), dtype=complex)
data.jump_times = []
data.jump_op_idx = []
# Liouvillian for the deterministic part.
# needs to be modified for TD systems
L = liouvillian(sso.H, sso.c_ops)
progress_bar.start(sso.ntraj)
for n in range(sso.ntraj):
progress_bar.update(n)
rho_t = mat2vec(sso.rho0.full()).ravel()
states_list, jump_times, jump_op_idx = \
_smepdpsolve_single_trajectory(data, L, dt, sso.times,
N_store, N_substeps,
rho_t, sso.rho0.dims,
sso.c_ops, sso.e_ops)
data.states.append(states_list)
data.jump_times.append(jump_times)
data.jump_op_idx.append(jump_op_idx)
progress_bar.finished()
# average density matrices
if options.average_states and np.any(data.states):
data.states = [
sum([data.states[m][n] for m in range(nt)]).unit()
for n in range(len(data.times))
]
# average
data.expect = data.expect / sso.ntraj
# standard error
if nt > 1:
data.se = (data.ss - nt * (data.expect**2)) / (nt * (nt - 1))
else:
data.se = None
return data
def _smepdpsolve_generic(sso, options, progress_bar):
"""
For internal use. See smepdpsolve.
"""
if debug:
logger.debug(inspect.stack()[0][3])
N_store = len(sso.times)
N_substeps = sso.nsubsteps
dt = (sso.times[1] - sso.times[0]) / N_substeps
nt = sso.ntraj
data = Result()
data.solver = "smepdpsolve"
data.times = sso.times
data.expect = np.zeros((len(sso.e_ops), N_store), dtype=complex)
data.jump_times = []
data.jump_op_idx = []
# Liouvillian for the deterministic part.
# needs to be modified for TD systems
L = liouvillian(sso.H, sso.c_ops)
progress_bar.start(sso.ntraj)
for n in range(sso.ntraj):
progress_bar.update(n)
rho_t = mat2vec(sso.rho0.full()).ravel()
states_list, jump_times, jump_op_idx = \
_smepdpsolve_single_trajectory(data, L, dt, sso.times,
N_store, N_substeps,
rho_t, sso.rho0.dims,
sso.c_ops, sso.e_ops)
data.states.append(states_list)
data.jump_times.append(jump_times)
data.jump_op_idx.append(jump_op_idx)
progress_bar.finished()
# average density matrices
if options.average_states and np.any(data.states):
data.states = [sum([data.states[m][n] for m in range(nt)]).unit()
for n in range(len(data.times))]
# average
data.expect = data.expect / sso.ntraj
# standard error
if nt > 1:
data.se = (data.ss - nt * (data.expect ** 2)) / (nt * (nt - 1))
else:
data.se = None
return data
def solve(self, rho0, tlist, options=None, progress=None):
"""
Solve the Hierarchy equations of motion for the given initial
density matrix and time.
"""
if options is None:
options = Options()
output = Result()
output.solver = "hsolve"
output.times = tlist
output.states = []
output.states.append(Qobj(rho0))
dt = np.diff(tlist)
rho_he = np.zeros(self.hshape, dtype=np.complex)
rho_he[0] = rho0.full().ravel("F")
rho_he = rho_he.flatten()
self.rhs()
L_helems = self.L_helems.asformat("csr")
r = ode(cy_ode_rhs)
r.set_f_params(L_helems.data, L_helems.indices, L_helems.indptr)
r.set_integrator(
"zvode",
method=options.method,
order=options.order,
atol=options.atol,
rtol=options.rtol,
nsteps=options.nsteps,
first_step=options.first_step,
min_step=options.min_step,
max_step=options.max_step,
)
r.set_initial_value(rho_he, tlist[0])
dt = np.diff(tlist)
n_tsteps = len(tlist)
if progress:
bar = progress(total=n_tsteps - 1)
for t_idx, t in enumerate(tlist):
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
r1 = r.y.reshape(self.hshape)
r0 = r1[0].reshape(self.N, self.N).T
output.states.append(Qobj(r0))
r_heom = r.y.reshape(self.hshape)
self.full_hierarchy.append(r_heom)
if progress:
bar.update()
return output
def run(self, rho0, tlist):
"""
Function to solve for an open quantum system using the
HEOM model.
Parameters
----------
rho0 : Qobj
Initial state (density matrix) of the system.
tlist : list
Time over which system evolves.
Returns
-------
results : :class:`qutip.solver.Result`
Object storing all results from the simulation.
"""
sup_dim = self._sup_dim
solver = self._ode
if not self._configured:
raise RuntimeError("Solver must be configured before it is run")
output = Result()
output.solver = "hsolve"
output.times = tlist
output.states = []
output.states.append(Qobj(rho0))
rho0_flat = rho0.full().ravel('F')
rho0_he = np.zeros([sup_dim*self._N_he], dtype=complex)
rho0_he[:sup_dim] = rho0_flat
solver.set_initial_value(rho0_he, tlist[0])
dt = np.diff(tlist)
n_tsteps = len(tlist)
for t_idx, t in enumerate(tlist):
if t_idx < n_tsteps - 1:
solver.integrate(solver.t + dt[t_idx])
rho = Qobj(solver.y[:sup_dim].reshape(rho0.shape,order='F'), dims=rho0.dims)
output.states.append(rho)
return output
def get_result(self, ntraj=[]):
# Store results in the Result object
if not ntraj:
ntraj = [self.num_traj]
elif not isinstance(ntraj, list):
ntraj = [ntraj]
output = Result()
output.solver = 'mcsolve'
output.seeds = self.seeds
options = self.options
output.options = options
if options.steady_state_average:
output.states = self.steady_state
elif options.average_states and options.store_states:
output.states = self.states
elif options.store_states:
output.states = self.runs_states
if options.store_final_state:
if options.average_states:
output.final_state = self.final_state
else:
output.final_state = self.runs_final_states
if options.average_expect:
output.expect = [self.expect_traj_avg(n) for n in ntraj]
if len(output.expect) == 1:
output.expect = output.expect[0]
else:
output.expect = self.runs_expect
# simulation parameters
output.times = self.tlist
output.num_expect = self.e_ops.e_num
output.num_collapse = len(self.ss.td_c_ops)
output.ntraj = self.num_traj
output.col_times = self.collapse_times
output.col_which = self.collapse_which
return output
def solve(self, rho0, tlist, options=None):
"""
Solve the ODE for the evolution of diagonal states and Hamiltonians.
"""
if options is None:
options = Options()
output = Result()
output.solver = "pisolve"
output.times = tlist
output.states = []
output.states.append(Qobj(rho0))
rhs_generate = lambda y, tt, M: M.dot(y)
rho0_flat = np.diag(np.real(rho0.full()))
L = self.coefficient_matrix()
rho_t = odeint(rhs_generate, rho0_flat, tlist, args=(L,))
for r in rho_t[1:]:
diag = np.diag(r)
output.states.append(Qobj(diag))
return output
def solve(self, rho0, tlist, options=None):
"""
Solve the ODE for the evolution of diagonal states and Hamiltonians.
"""
if options is None:
options = Options()
output = Result()
output.solver = "pisolve"
output.times = tlist
output.states = []
output.states.append(Qobj(rho0))
rhs_generate = lambda y, tt, M: M.dot(y)
rho0_flat = np.diag(np.real(rho0.full()))
L = self.coefficient_matrix()
rho_t = odeint(rhs_generate, rho0_flat, tlist, args=(L, ))
for r in rho_t[1:]:
diag = np.diag(r)
output.states.append(Qobj(diag))
return output
def essolve(H, rho0, tlist, c_op_list, e_ops):
"""
Evolution of a state vector or density matrix (`rho0`) for a given
Hamiltonian (`H`) and set of collapse operators (`c_op_list`), by
expressing the ODE as an exponential series. The output is either
the state vector at arbitrary points in time (`tlist`), or the
expectation values of the supplied operators (`e_ops`).
.. deprecated:: 4.6.0
:obj:`~essolev` will be removed in QuTiP 5. Please use :obj:`~sesolve`
or :obj:`~mesolve` for general-purpose integration of the
Schroedinger/Lindblad master equation. This will likely be faster than
:obj:`~essolve` for you.
Parameters
----------
H : qobj/function_type
System Hamiltonian.
rho0 : :class:`qutip.qobj`
Initial state density matrix.
tlist : list/array
``list`` of times for :math:`t`.
c_op_list : list of :class:`qutip.qobj`
``list`` of :class:`qutip.qobj` collapse operators.
e_ops : list of :class:`qutip.qobj`
``list`` of :class:`qutip.qobj` operators for which to evaluate
expectation values.
Returns
-------
expt_array : array
Expectation values of wavefunctions/density matrices for the
times specified in ``tlist``.
.. note:: This solver does not support time-dependent Hamiltonians.
"""
n_expt_op = len(e_ops)
n_tsteps = len(tlist)
# Calculate the Liouvillian
if (c_op_list is None or len(c_op_list) == 0) and isket(rho0):
L = H
else:
L = liouvillian(H, c_op_list)
es = ode2es(L, rho0)
# evaluate the expectation values
if n_expt_op == 0:
results = [Qobj()] * n_tsteps
else:
results = np.zeros([n_expt_op, n_tsteps], dtype=complex)
for n, e in enumerate(e_ops):
results[n, :] = expect(e, esval(es, tlist))
data = Result()
data.solver = "essolve"
data.times = tlist
data.expect = [
np.real(results[n, :]) if e.isherm else results[n, :]
for n, e in enumerate(e_ops)
]
return data
def fsesolve(H, psi0, tlist, e_ops=[], T=None, args={}, Tsteps=100):
"""
Solve the Schrodinger equation using the Floquet formalism.
Parameters
----------
H : :class:`qutip.qobj.Qobj`
System Hamiltonian, time-dependent with period `T`.
psi0 : :class:`qutip.qobj`
Initial state vector (ket).
tlist : *list* / *array*
list of times for :math:`t`.
e_ops : list of :class:`qutip.qobj` / callback function
list of operators for which to evaluate expectation values. If this
list is empty, the state vectors for each time in `tlist` will be
returned instead of expectation values.
T : float
The period of the time-dependence of the hamiltonian.
args : dictionary
Dictionary with variables required to evaluate H.
Tsteps : integer
The number of time steps in one driving period for which to
precalculate the Floquet modes. `Tsteps` should be an even number.
Returns
-------
output : :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`, which
contains either an *array* of expectation values or an array of
state vectors, for the times specified by `tlist`.
"""
if not T:
# assume that tlist span exactly one period of the driving
T = tlist[-1]
# find the floquet modes for the time-dependent hamiltonian
f_modes_0, f_energies = floquet_modes(H, T, args)
# calculate the wavefunctions using the from the floquet modes
f_modes_table_t = floquet_modes_table(f_modes_0, f_energies,
np.linspace(0, T, Tsteps + 1), H, T,
args)
# setup Result for storing the results
output = Result()
output.times = tlist
output.solver = "fsesolve"
if isinstance(e_ops, FunctionType):
output.num_expect = 0
expt_callback = True
elif isinstance(e_ops, list):
output.num_expect = len(e_ops)
expt_callback = False
if output.num_expect == 0:
output.states = []
else:
output.expect = []
for op in e_ops:
if op.isherm:
output.expect.append(np.zeros(len(tlist)))
else:
output.expect.append(np.zeros(len(tlist), dtype=complex))
else:
raise TypeError("e_ops must be a list Qobj or a callback function")
psi0_fb = psi0.transform(f_modes_0)
for t_idx, t in enumerate(tlist):
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
f_states_t = floquet_states(f_modes_t, f_energies, t)
psi_t = psi0_fb.transform(f_states_t, True)
if expt_callback:
# use callback method
e_ops(t, psi_t)
else:
# calculate all the expectation values, or output psi if
# no expectation value operators where defined
if output.num_expect == 0:
output.states.append(Qobj(psi_t))
else:
for e_idx, e in enumerate(e_ops):
output.expect[e_idx][t_idx] = expect(e, psi_t)
return output
def _generic_ode_solve(func,
ode_args,
rho0,
tlist,
e_ops,
opt,
progress_bar,
dims=None):
"""
Internal function for solving ME.
Calculate the required expectation values or invoke
callback function at each time step.
"""
# %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
# This function is made similar to sesolve's one for futur merging in a
# solver class
# %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
# prepare output array
n_tsteps = len(tlist)
output = Result()
output.solver = "mesolve"
output.times = tlist
size = rho0.shape[0]
initial_vector = rho0.full().ravel('F')
r = scipy.integrate.ode(func)
r.set_integrator('zvode',
method=opt.method,
order=opt.order,
atol=opt.atol,
rtol=opt.rtol,
nsteps=opt.nsteps,
first_step=opt.first_step,
min_step=opt.min_step,
max_step=opt.max_step)
if ode_args:
r.set_f_params(*ode_args)
r.set_initial_value(initial_vector, tlist[0])
e_ops_data = []
output.expect = []
if callable(e_ops):
n_expt_op = 0
expt_callback = True
output.num_expect = 1
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
output.num_expect = n_expt_op
if n_expt_op == 0:
# fall back on storing states
opt.store_states = True
else:
for op in e_ops:
if not isinstance(op, Qobj) and callable(op):
output.expect.append(np.zeros(n_tsteps, dtype=complex))
continue
if op.dims != rho0.dims:
raise TypeError(f"e_ops dims ({op.dims}) are not "
f"compatible with the state's "
f"({rho0.dims})")
e_ops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
if opt.store_states:
output.states = []
def get_curr_state_data(r):
return vec2mat(r.y)
#
# start evolution
#
dt = np.diff(tlist)
cdata = None
progress_bar.start(n_tsteps)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
if opt.store_states or expt_callback:
cdata = get_curr_state_data(r)
fdata = dense2D_to_fastcsr_fmode(cdata, size, size)
# Try to guess if there is a fast path for rho_t
if issuper(rho0) or not rho0.isherm:
rho_t = Qobj(fdata, dims=dims)
else:
rho_t = Qobj(fdata, dims=dims, fast="mc-dm")
if opt.store_states:
output.states.append(rho_t)
if expt_callback:
# use callback method
output.expect.append(e_ops(t, rho_t))
for m in range(n_expt_op):
if not isinstance(e_ops[m], Qobj) and callable(e_ops[m]):
output.expect[m][t_idx] = e_ops[m](t, rho_t)
continue
output.expect[m][t_idx] = expect_rho_vec(
e_ops_data[m], r.y, e_ops[m].isherm and rho0.isherm)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if opt.store_final_state:
cdata = get_curr_state_data(r)
output.final_state = Qobj(cdata, dims=dims, isherm=rho0.isherm or None)
return output
def ttmsolve(dynmaps, rho0, times, e_ops=[], learningtimes=None, tensors=None,
**kwargs):
"""
Solve time-evolution using the Transfer Tensor Method, based on a set of
precomputed dynamical maps.
Parameters
----------
dynmaps : list of :class:`qutip.Qobj`
List of precomputed dynamical maps (superoperators),
or a callback function that returns the
superoperator at a given time.
rho0 : :class:`qutip.Qobj`
Initial density matrix or state vector (ket).
times : array_like
list of times :math:`t_n` at which to compute :math:`\\rho(t_n)`.
Must be uniformily spaced.
e_ops : list of :class:`qutip.Qobj` / callback function
single operator or list of operators for which to evaluate
expectation values.
learningtimes : array_like
list of times :math:`t_k` for which we have knowledge of the dynamical
maps :math:`E(t_k)`.
tensors : array_like
optional list of precomputed tensors :math:`T_k`
kwargs : dictionary
Optional keyword arguments. See
:class:`qutip.nonmarkov.ttm.TTMSolverOptions`.
Returns
-------
output: :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`.
"""
opt = TTMSolverOptions(dynmaps=dynmaps, times=times,
learningtimes=learningtimes, **kwargs)
diff = None
if isket(rho0):
rho0 = ket2dm(rho0)
output = Result()
e_sops_data = []
if callable(e_ops):
n_expt_op = 0
expt_callback = True
else:
try:
tmp = e_ops[:]
del tmp
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
opt.store_states = True
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(len(times)))
else:
output.expect.append(np.zeros(len(times), dtype=complex))
except TypeError:
raise TypeError("Argument 'e_ops' should be a callable or" +
"list-like.")
if tensors is None:
tensors, diff = _generatetensors(dynmaps, learningtimes, opt=opt)
if rho0.isoper:
# vectorize density matrix
rho0vec = operator_to_vector(rho0)
else:
# rho0 might be a super in which case we should not vectorize
rho0vec = rho0
K = len(tensors)
states = [rho0vec]
for n in range(1, len(times)):
states.append(None)
for k in range(n):
if n-k < K:
states[-1] += tensors[n-k]*states[k]
for i, r in enumerate(states):
if opt.store_states or expt_callback:
if r.type == 'operator-ket':
states[i] = vector_to_operator(r)
else:
states[i] = r
if expt_callback:
# use callback method
e_ops(times[i], states[i])
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][i] = expect_rho_vec(e_sops_data[m], r, 0)
else:
output.expect[m][i] = expect_rho_vec(e_sops_data[m], r, 1)
output.solver = "ttmsolve"
output.times = times
output.ttmconvergence = diff
if opt.store_states:
output.states = states
return output
def brmesolve(H, psi0, tlist, a_ops=[], e_ops=[], c_ops=[],
args={}, use_secular=True, sec_cutoff = 0.1,
tol=qset.atol,
spectra_cb=None, options=None,
progress_bar=None, _safe_mode=True, verbose=False):
"""
Solves for the dynamics of a system using the Bloch-Redfield master equation,
given an input Hamiltonian, Hermitian bath-coupling terms and their associated
spectrum functions, as well as possible Lindblad collapse operators.
For time-independent systems, the Hamiltonian must be given as a Qobj,
whereas the bath-coupling terms (a_ops), must be written as a nested list
of operator - spectrum function pairs, where the frequency is specified by
the `w` variable.
*Example*
a_ops = [[a+a.dag(),lambda w: 0.2*(w>=0)]]
For time-dependent systems, the Hamiltonian, a_ops, and Lindblad collapse
operators (c_ops), can be specified in the QuTiP string-based time-dependent
format. For the a_op spectra, the frequency variable must be `w`, and the
string cannot contain any other variables other than the possibility of having
a time-dependence through the time variable `t`:
*Example*
a_ops = [[a+a.dag(), '0.2*exp(-t)*(w>=0)']]
It is also possible to use Cubic_Spline objects for time-dependence. In
the case of a_ops, Cubic_Splines must be passed as a tuple:
*Example*
a_ops = [ [a+a.dag(), ( f(w), g(t)] ]
where f(w) and g(t) are strings or Cubic_spline objects for the bath
spectrum and time-dependence, respectively.
Finally, if one has bath-couplimg terms of the form
H = f(t)*a + conj[f(t)]*a.dag(), then the correct input format is
*Example*
a_ops = [ [(a,a.dag()), (f(w), g1(t), g2(t))],... ]
where f(w) is the spectrum of the operators while g1(t) and g2(t)
are the time-dependence of the operators `a` and `a.dag()`, respectively
Parameters
----------
H : Qobj / list
System Hamiltonian given as a Qobj or
nested list in string-based format.
psi0: Qobj
Initial density matrix or state vector (ket).
tlist : array_like
List of times for evaluating evolution
a_ops : list
Nested list of Hermitian system operators that couple to
the bath degrees of freedom, along with their associated
spectra.
e_ops : list
List of operators for which to evaluate expectation values.
c_ops : list
List of system collapse operators, or nested list in
string-based format.
args : dict
Placeholder for future implementation, kept for API consistency.
use_secular : bool {True}
Use secular approximation when evaluating bath-coupling terms.
sec_cutoff : float {0.1}
Cutoff for secular approximation.
tol : float {qutip.setttings.atol}
Tolerance used for removing small values after
basis transformation.
spectra_cb : list
DEPRECIATED. Do not use.
options : :class:`qutip.solver.Options`
Options for the solver.
progress_bar : BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation.
Returns
-------
result: :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`, which contains
either an array of expectation values, for operators given in e_ops,
or a list of states for the times specified by `tlist`.
"""
_prep_time = time.time()
#This allows for passing a list of time-independent Qobj
#as allowed by mesolve
if isinstance(H, list):
if np.all([isinstance(h,Qobj) for h in H]):
H = sum(H)
if isinstance(c_ops, Qobj):
c_ops = [c_ops]
if isinstance(e_ops, Qobj):
e_ops = [e_ops]
if isinstance(e_ops, dict):
e_ops_dict = e_ops
e_ops = [e for e in e_ops.values()]
else:
e_ops_dict = None
if not (spectra_cb is None):
warnings.warn("The use of spectra_cb is depreciated.", DeprecationWarning)
_a_ops = []
for kk, a in enumerate(a_ops):
_a_ops.append([a,spectra_cb[kk]])
a_ops = _a_ops
if _safe_mode:
_solver_safety_check(H, psi0, a_ops+c_ops, e_ops, args)
# check for type (if any) of time-dependent inputs
_, n_func, n_str = _td_format_check(H, a_ops+c_ops)
if progress_bar is None:
progress_bar = BaseProgressBar()
elif progress_bar is True:
progress_bar = TextProgressBar()
if options is None:
options = Options()
if (not options.rhs_reuse) or (not config.tdfunc):
# reset config collapse and time-dependence flags to default values
config.reset()
#check if should use OPENMP
check_use_openmp(options)
if n_str == 0:
R, ekets = bloch_redfield_tensor(H, a_ops, spectra_cb=None, c_ops=c_ops,
use_secular=use_secular, sec_cutoff=sec_cutoff)
output = Result()
output.solver = "brmesolve"
output.times = tlist
results = bloch_redfield_solve(R, ekets, psi0, tlist, e_ops, options,
progress_bar=progress_bar)
if e_ops:
output.expect = results
else:
output.states = results
return output
elif n_str != 0 and n_func == 0:
output = _td_brmesolve(H, psi0, tlist, a_ops=a_ops, e_ops=e_ops,
c_ops=c_ops, args=args, use_secular=use_secular,
sec_cutoff=sec_cutoff,
tol=tol, options=options,
progress_bar=progress_bar,
_safe_mode=_safe_mode, verbose=verbose,
_prep_time=_prep_time)
return output
else:
raise Exception('Cannot mix func and str formats.')
def essolve(H, rho0, tlist, c_op_list, e_ops):
"""
Evolution of a state vector or density matrix (`rho0`) for a given
Hamiltonian (`H`) and set of collapse operators (`c_op_list`), by
expressing the ODE as an exponential series. The output is either
the state vector at arbitrary points in time (`tlist`), or the
expectation values of the supplied operators (`e_ops`).
Parameters
----------
H : qobj/function_type
System Hamiltonian.
rho0 : :class:`qutip.qobj`
Initial state density matrix.
tlist : list/array
``list`` of times for :math:`t`.
c_op_list : list of :class:`qutip.qobj`
``list`` of :class:`qutip.qobj` collapse operators.
e_ops : list of :class:`qutip.qobj`
``list`` of :class:`qutip.qobj` operators for which to evaluate
expectation values.
Returns
-------
expt_array : array
Expectation values of wavefunctions/density matrices for the
times specified in ``tlist``.
.. note:: This solver does not support time-dependent Hamiltonians.
"""
n_expt_op = len(e_ops)
n_tsteps = len(tlist)
# Calculate the Liouvillian
if (c_op_list is None or len(c_op_list) == 0) and isket(rho0):
L = H
else:
L = liouvillian(H, c_op_list)
es = ode2es(L, rho0)
# evaluate the expectation values
if n_expt_op == 0:
results = [Qobj()] * n_tsteps
else:
results = np.zeros([n_expt_op, n_tsteps], dtype=complex)
for n, e in enumerate(e_ops):
results[n, :] = expect(e, esval(es, tlist))
data = Result()
data.solver = "essolve"
data.times = tlist
data.expect = [np.real(results[n, :]) if e.isherm else results[n, :]
for n, e in enumerate(e_ops)]
return data
def _generic_ode_solve(func, ode_args, psi0, tlist, e_ops, opt,
progress_bar, dims=None):
"""
Internal function for solving ODEs.
"""
# %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
# This function is made similar to mesolve's one for futur merging in a
# solver class
# %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
# prepare output array
n_tsteps = len(tlist)
output = Result()
output.solver = "sesolve"
output.times = tlist
if psi0.isunitary:
initial_vector = psi0.full().ravel('F')
oper_evo = True
size = psi0.shape[0]
# oper_n = dims[0][0]
# norm_dim_factor = np.sqrt(oper_n)
elif psi0.isket:
initial_vector = psi0.full().ravel()
oper_evo = False
# norm_dim_factor = 1.0
r = scipy.integrate.ode(func)
r.set_integrator('zvode', method=opt.method, order=opt.order,
atol=opt.atol, rtol=opt.rtol, nsteps=opt.nsteps,
first_step=opt.first_step, min_step=opt.min_step,
max_step=opt.max_step)
if ode_args:
r.set_f_params(*ode_args)
r.set_initial_value(initial_vector, tlist[0])
e_ops_data = []
output.expect = []
if callable(e_ops):
n_expt_op = 0
expt_callback = True
output.num_expect = 1
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
output.num_expect = n_expt_op
if n_expt_op == 0:
# fallback on storing states
opt.store_states = True
else:
for op in e_ops:
if not isinstance(op, Qobj) and callable(op):
output.expect.append(np.zeros(n_tsteps, dtype=complex))
continue
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
if oper_evo:
for e in e_ops:
if isinstance(e, Qobj):
e_ops_data.append(e.dag().data)
continue
e_ops_data.append(e)
else:
for e in e_ops:
if isinstance(e, Qobj):
e_ops_data.append(e.data)
continue
e_ops_data.append(e)
else:
raise TypeError("Expectation parameter must be a list or a function")
if opt.store_states:
output.states = []
if oper_evo:
def get_curr_state_data(r):
return vec2mat(r.y)
else:
def get_curr_state_data(r):
return r.y
#
# start evolution
#
dt = np.diff(tlist)
cdata = None
progress_bar.start(n_tsteps)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
# get the current state / oper data if needed
if opt.store_states or opt.normalize_output \
or n_expt_op > 0 or expt_callback:
cdata = get_curr_state_data(r)
if opt.normalize_output:
# normalize per column
if oper_evo:
cdata /= la_norm(cdata, axis=0)
#cdata *= norm_dim_factor / la_norm(cdata)
r.set_initial_value(cdata.ravel('F'), r.t)
else:
#cdata /= la_norm(cdata)
norm = normalize_inplace(cdata)
if norm > 1e-12:
# only reset the solver if state changed
r.set_initial_value(cdata, r.t)
else:
r._y = cdata
if opt.store_states:
if oper_evo:
fdata = dense2D_to_fastcsr_fmode(cdata, size, size)
output.states.append(Qobj(fdata, dims=dims))
else:
fdata = dense1D_to_fastcsr_ket(cdata)
output.states.append(Qobj(fdata, dims=dims, fast='mc'))
if expt_callback:
# use callback method
output.expect.append(e_ops(t, Qobj(cdata, dims=dims)))
if oper_evo:
for m in range(n_expt_op):
if callable(e_ops_data[m]):
func = e_ops_data[m]
output.expect[m][t_idx] = func(t, Qobj(cdata, dims=dims))
continue
output.expect[m][t_idx] = (e_ops_data[m] * cdata).trace()
else:
for m in range(n_expt_op):
if callable(e_ops_data[m]):
func = e_ops_data[m]
output.expect[m][t_idx] = func(t, Qobj(cdata, dims=dims))
continue
output.expect[m][t_idx] = cy_expect_psi(e_ops_data[m], cdata,
e_ops[m].isherm)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if opt.store_final_state:
cdata = get_curr_state_data(r)
if opt.normalize_output:
cdata /= la_norm(cdata, axis=0)
# cdata *= norm_dim_factor / la_norm(cdata)
output.final_state = Qobj(cdata, dims=dims)
return output
def _generic_ode_solve(r, psi0, tlist, e_ops, opt, progress_bar,
state_norm_func=None, dims=None):
"""
Internal function for solving ODEs.
"""
#
# prepare output array
#
n_tsteps = len(tlist)
output = Result()
output.solver = "sesolve"
output.times = tlist
if opt.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fallback on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
progress_bar.start(n_tsteps)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
break
if state_norm_func:
data = r.y / state_norm_func(r.y)
r.set_initial_value(data, r.t)
if opt.store_states:
output.states.append(Qobj(r.y, dims=dims))
if expt_callback:
# use callback method
e_ops(t, Qobj(r.y, dims=psi0.dims))
for m in range(n_expt_op):
output.expect[m][t_idx] = cy_expect_psi(e_ops[m].data,
r.y, e_ops[m].isherm)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if not opt.rhs_reuse and config.tdname is not None:
try:
os.remove(config.tdname + ".pyx")
except:
pass
if opt.store_final_state:
output.final_state = Qobj(r.y)
return output
def generic_ode_solve_checkpoint(r, rho0, tlist, e_ops, opt, progress_bar,
save, subdir):
"""
Internal function for solving ME. Solve an ODE which solver parameters
already setup (r). Calculate the required expectation values or invoke
callback function at each time step.
"""
#
# prepare output array
#
n_tsteps = len(tlist)
e_sops_data = []
output = Result()
output.solver = "mesolve"
output.times = tlist
if opt.store_states:
output.states = []
e_ops_dict = e_ops
e_ops = [e for e in e_ops_dict.values()]
headings = [key for key in e_ops_dict.keys()]
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
results_row = np.zeros(n_expt_op)
#
# start evolution
#
progress_bar.start(n_tsteps)
rho = Qobj(rho0)
dims = rho.dims
dt = np.diff(tlist)
end_time = tlist[-1]
for t_idx, t in tqdm(enumerate(tlist)):
progress_bar.update(t_idx)
if not r.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
if opt.store_states or expt_callback:
rho.data = vec2mat(r.y)
if opt.store_states:
output.states.append(Qobj(rho))
if expt_callback:
# use callback method
e_ops(t, rho)
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], r.y, 0)
results_row[m] = output.expect[m][t_idx]
else:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], r.y, 1)
results_row[m] = output.expect[m][t_idx]
results = pd.DataFrame(results_row).T
results.columns = headings
results.index = [t]
results.index.name = 'times'
if t == 0:
first_row = True
else:
first_row = False
if save:
rho_checkpoint = Qobj(vec2mat(r.y))
rho_checkpoint.dims = dims
if t_idx % 200 == 0:
rho_c = rho_checkpoint.ptrace(0)
with open('./cavity_states.pkl', 'ab') as f:
pickle.dump(rho_c, f)
with open('./results.csv', 'a') as file:
results.to_csv(file, header=first_row, float_format='%.15f')
qsave(rho_checkpoint, './state_checkpoint')
save = True
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if not opt.rhs_reuse and config.tdname is not None:
_cython_build_cleanup(config.tdname)
return output
def mcsolve(H, psi0, tlist, c_ops, e_ops, ntraj=None, args={}, options=Options()):
"""Monte-Carlo evolution of a state vector :math:`|\psi \\rangle` for a
given Hamiltonian and sets of collapse operators, and possibly, operators
for calculating expectation values. Options for the underlying ODE solver
are given by the Options class.
mcsolve supports time-dependent Hamiltonians and collapse operators using
either Python functions of strings to represent time-dependent
coefficients. Note that, the system Hamiltonian MUST have at least one
constant term.
As an example of a time-dependent problem, consider a Hamiltonian with two
terms ``H0`` and ``H1``, where ``H1`` is time-dependent with coefficient
``sin(w*t)``, and collapse operators ``C0`` and ``C1``, where ``C1`` is
time-dependent with coeffcient ``exp(-a*t)``. Here, w and a are constant
arguments with values ``W`` and ``A``.
Using the Python function time-dependent format requires two Python
functions, one for each collapse coefficient. Therefore, this problem could
be expressed as::
def H1_coeff(t,args):
return sin(args['w']*t)
def C1_coeff(t,args):
return exp(-args['a']*t)
H=[H0,[H1,H1_coeff]]
c_op_list=[C0,[C1,C1_coeff]]
args={'a':A,'w':W}
or in String (Cython) format we could write::
H=[H0,[H1,'sin(w*t)']]
c_op_list=[C0,[C1,'exp(-a*t)']]
args={'a':A,'w':W}
Constant terms are preferably placed first in the Hamiltonian and collapse
operator lists.
Parameters
----------
H : qobj
System Hamiltonian.
psi0 : qobj
Initial state vector
tlist : array_like
Times at which results are recorded.
ntraj : int
Number of trajectories to run.
c_ops : array_like
single collapse operator or ``list`` or ``array`` of collapse
operators.
e_ops : array_like
single operator or ``list`` or ``array`` of operators for calculating
expectation values.
args : dict
Arguments for time-dependent Hamiltonian and collapse operator terms.
options : Options
Instance of ODE solver options.
Returns
-------
results : Result
Object storing all results from simulation.
"""
if debug:
print(inspect.stack()[0][3])
if ntraj is None:
ntraj = options.ntraj
if not psi0.isket:
raise Exception("Initial state must be a state vector.")
if isinstance(c_ops, Qobj):
c_ops = [c_ops]
if isinstance(e_ops, Qobj):
e_ops = [e_ops]
if isinstance(e_ops, dict):
e_ops_dict = e_ops
e_ops = [e for e in e_ops.values()]
else:
e_ops_dict = None
config.options = options
if isinstance(ntraj, list):
config.progress_bar = TextProgressBar(max(ntraj))
else:
config.progress_bar = TextProgressBar(ntraj)
# set num_cpus to the value given in qutip.settings if none in Options
if not config.options.num_cpus:
config.options.num_cpus = qutip.settings.num_cpus
# set initial value data
if options.tidy:
config.psi0 = psi0.tidyup(options.atol).full().ravel()
else:
config.psi0 = psi0.full().ravel()
config.psi0_dims = psi0.dims
config.psi0_shape = psi0.shape
# set options on ouput states
if config.options.steady_state_average:
config.options.average_states = True
# set general items
config.tlist = tlist
if isinstance(ntraj, (list, ndarray)):
config.ntraj = sort(ntraj)[-1]
else:
config.ntraj = ntraj
# set norm finding constants
config.norm_tol = options.norm_tol
config.norm_steps = options.norm_steps
# convert array based time-dependence to string format
H, c_ops, args = _td_wrap_array_str(H, c_ops, args, tlist)
# ----------------------------------------------
# SETUP ODE DATA IF NONE EXISTS OR NOT REUSING
# ----------------------------------------------
if (not options.rhs_reuse) or (not config.tdfunc):
# reset config collapse and time-dependence flags to default values
config.soft_reset()
# check for type of time-dependence (if any)
time_type, h_stuff, c_stuff = _td_format_check(H, c_ops, "mc")
h_terms = len(h_stuff[0]) + len(h_stuff[1]) + len(h_stuff[2])
c_terms = len(c_stuff[0]) + len(c_stuff[1]) + len(c_stuff[2])
# set time_type for use in multiprocessing
config.tflag = time_type
# check for collapse operators
if c_terms > 0:
config.cflag = 1
else:
config.cflag = 0
# Configure data
_mc_data_config(H, psi0, h_stuff, c_ops, c_stuff, args, e_ops, options, config)
# compile and load cython functions if necessary
_mc_func_load(config)
else:
# setup args for new parameters when rhs_reuse=True and tdfunc is given
# string based
if config.tflag in array([1, 10, 11]):
if any(args):
config.c_args = []
arg_items = args.items()
for k in range(len(args)):
config.c_args.append(arg_items[k][1])
# function based
elif config.tflag in array([2, 3, 20, 22]):
config.h_func_args = args
# load monte-carlo class
mc = _MC_class(config)
# RUN THE SIMULATION
mc.run()
# remove RHS cython file if necessary
if not options.rhs_reuse and config.tdname:
try:
os.remove(config.tdname + ".pyx")
except:
pass
# AFTER MCSOLVER IS DONE --------------------------------------
# ------- COLLECT AND RETURN OUTPUT DATA IN ODEDATA OBJECT --------------
output = Result()
output.solver = "mcsolve"
# state vectors
if mc.psi_out is not None and config.options.average_states and config.cflag and ntraj != 1:
output.states = parfor(_mc_dm_avg, mc.psi_out.T)
elif mc.psi_out is not None:
output.states = mc.psi_out
# expectation values
elif mc.expect_out is not None and config.cflag and config.options.average_expect:
# averaging if multiple trajectories
if isinstance(ntraj, int):
output.expect = [mean([mc.expect_out[nt][op] for nt in range(ntraj)], axis=0) for op in range(config.e_num)]
elif isinstance(ntraj, (list, ndarray)):
output.expect = []
for num in ntraj:
expt_data = mean(mc.expect_out[:num], axis=0)
data_list = []
if any([not op.isherm for op in e_ops]):
for k in range(len(e_ops)):
if e_ops[k].isherm:
data_list.append(np.real(expt_data[k]))
else:
data_list.append(expt_data[k])
else:
data_list = [data for data in expt_data]
output.expect.append(data_list)
else:
# no averaging for single trajectory or if average_states flag
# (Options) is off
if mc.expect_out is not None:
output.expect = mc.expect_out
# simulation parameters
output.times = config.tlist
output.num_expect = config.e_num
output.num_collapse = config.c_num
output.ntraj = config.ntraj
output.col_times = mc.collapse_times_out
output.col_which = mc.which_op_out
if e_ops_dict:
output.expect = {e: output.expect[n] for n, e in enumerate(e_ops_dict.keys())}
return output
def mcsolve_f90(H,
psi0,
tlist,
c_ops,
e_ops,
ntraj=None,
options=Options(),
sparse_dms=True,
serial=False,
ptrace_sel=[],
calc_entropy=False):
"""
Monte-Carlo wave function solver with fortran 90 backend.
Usage is identical to qutip.mcsolve, for problems without explicit
time-dependence, and with some optional input:
Parameters
----------
H : qobj
System Hamiltonian.
psi0 : qobj
Initial state vector
tlist : array_like
Times at which results are recorded.
ntraj : int
Number of trajectories to run.
c_ops : array_like
``list`` or ``array`` of collapse operators.
e_ops : array_like
``list`` or ``array`` of operators for calculating expectation values.
options : Options
Instance of solver options.
sparse_dms : boolean
If averaged density matrices are returned, they will be stored as
sparse (Compressed Row Format) matrices during computation if
sparse_dms = True (default), and dense matrices otherwise. Dense
matrices might be preferable for smaller systems.
serial : boolean
If True (default is False) the solver will not make use of the
multiprocessing module, and simply run in serial.
ptrace_sel: list
This optional argument specifies a list of components to keep when
returning a partially traced density matrix. This can be convenient for
large systems where memory becomes a problem, but you are only
interested in parts of the density matrix.
calc_entropy : boolean
If ptrace_sel is specified, calc_entropy=True will have the solver
return the averaged entropy over trajectories in results.entropy. This
can be interpreted as a measure of entanglement. See Phys. Rev. Lett.
93, 120408 (2004), Phys. Rev. A 86, 022310 (2012).
Returns
-------
results : Result
Object storing all results from simulation.
"""
if ntraj is None:
ntraj = options.ntraj
if psi0.type != 'ket':
raise Exception("Initial state must be a state vector.")
config.options = options
# set num_cpus to the value given in qutip.settings
# if none in Options
if not config.options.num_cpus:
config.options.num_cpus = qutip.settings.num_cpus
# set initial value data
if options.tidy:
config.psi0 = psi0.tidyup(options.atol).full()
else:
config.psi0 = psi0.full()
config.psi0_dims = psi0.dims
config.psi0_shape = psi0.shape
# set general items
config.tlist = tlist
if isinstance(ntraj, (list, np.ndarray)):
raise Exception("ntraj as list argument is not supported.")
else:
config.ntraj = ntraj
# ntraj_list = [ntraj]
# set norm finding constants
config.norm_tol = options.norm_tol
config.norm_steps = options.norm_steps
if not options.rhs_reuse:
config.soft_reset()
# no time dependence
config.tflag = 0
# check for collapse operators
if len(c_ops) > 0:
config.cflag = 1
else:
config.cflag = 0
# Configure data
_mc_data_config(H, psi0, [], c_ops, [], [], e_ops, options, config)
# Load Monte Carlo class
mc = _MC_class()
# Set solver type
if (options.method == 'adams'):
mc.mf = 10
elif (options.method == 'bdf'):
mc.mf = 22
else:
if debug:
print('Unrecognized method for ode solver, using "adams".')
mc.mf = 10
# store ket and density matrix dims and shape for convenience
mc.psi0_dims = psi0.dims
mc.psi0_shape = psi0.shape
mc.dm_dims = (psi0 * psi0.dag()).dims
mc.dm_shape = (psi0 * psi0.dag()).shape
# use sparse density matrices during computation?
mc.sparse_dms = sparse_dms
# run in serial?
mc.serial_run = serial or (ntraj == 1)
# are we doing a partial trace for returned states?
mc.ptrace_sel = ptrace_sel
if (ptrace_sel != []):
if debug:
print("ptrace_sel set to " + str(ptrace_sel))
print("We are using dense density matrices during computation " +
"when performing partial trace. Setting sparse_dms = False")
print("This feature is experimental.")
mc.sparse_dms = False
mc.dm_dims = psi0.ptrace(ptrace_sel).dims
mc.dm_shape = psi0.ptrace(ptrace_sel).shape
if (calc_entropy):
if (ptrace_sel == []):
if debug:
print("calc_entropy = True, but ptrace_sel = []. Please set " +
"a list of components to keep when calculating average" +
" entropy of reduced density matrix in ptrace_sel. " +
"Setting calc_entropy = False.")
calc_entropy = False
mc.calc_entropy = calc_entropy
# construct output Result object
output = Result()
# Run
mc.run()
output.states = mc.sol.states
output.expect = mc.sol.expect
output.col_times = mc.sol.col_times
output.col_which = mc.sol.col_which
if (hasattr(mc.sol, 'entropy')):
output.entropy = mc.sol.entropy
output.solver = 'Fortran 90 Monte Carlo solver'
# simulation parameters
output.times = config.tlist
output.num_expect = config.e_num
output.num_collapse = config.c_num
output.ntraj = config.ntraj
return output
def _ssepdpsolve_generic(sso, options, progress_bar):
"""
For internal use. See ssepdpsolve.
"""
if debug:
logger.debug(inspect.stack()[0][3])
N_store = len(sso.times)
N_substeps = sso.nsubsteps
dt = (sso.times[1] - sso.times[0]) / N_substeps
nt = sso.ntraj
data = Result()
data.solver = "sepdpsolve"
data.times = sso.tlist
data.expect = np.zeros((len(sso.e_ops), N_store), dtype=complex)
data.ss = np.zeros((len(sso.e_ops), N_store), dtype=complex)
data.jump_times = []
data.jump_op_idx = []
# effective hamiltonian for deterministic part
Heff = sso.H
for c in sso.c_ops:
Heff += -0.5j * c.dag() * c
progress_bar.start(sso.ntraj)
for n in range(sso.ntraj):
progress_bar.update(n)
psi_t = sso.state0.full().ravel()
states_list, jump_times, jump_op_idx = \
_ssepdpsolve_single_trajectory(data, Heff, dt, sso.times,
N_store, N_substeps,
psi_t, sso.state0.dims,
sso.c_ops, sso.e_ops)
data.states.append(states_list)
data.jump_times.append(jump_times)
data.jump_op_idx.append(jump_op_idx)
progress_bar.finished()
# average density matrices
if options.average_states and np.any(data.states):
data.states = [sum([data.states[m][n] for m in range(nt)]).unit()
for n in range(len(data.times))]
# average
data.expect = data.expect / nt
# standard error
if nt > 1:
data.se = (data.ss - nt * (data.expect ** 2)) / (nt * (nt - 1))
else:
data.se = None
# convert complex data to real if hermitian
data.expect = [np.real(data.expect[n, :])
if e.isherm else data.expect[n, :]
for n, e in enumerate(sso.e_ops)]
return data
def mcsolve(H, psi0, tlist, c_ops, e_ops, ntraj=None,
args={}, options=None, progress_bar=True,
map_func=None, map_kwargs=None):
"""Monte Carlo evolution of a state vector :math:`|\psi \\rangle` for a
given Hamiltonian and sets of collapse operators, and possibly, operators
for calculating expectation values. Options for the underlying ODE solver
are given by the Options class.
mcsolve supports time-dependent Hamiltonians and collapse operators using
either Python functions of strings to represent time-dependent
coefficients. Note that, the system Hamiltonian MUST have at least one
constant term.
As an example of a time-dependent problem, consider a Hamiltonian with two
terms ``H0`` and ``H1``, where ``H1`` is time-dependent with coefficient
``sin(w*t)``, and collapse operators ``C0`` and ``C1``, where ``C1`` is
time-dependent with coeffcient ``exp(-a*t)``. Here, w and a are constant
arguments with values ``W`` and ``A``.
Using the Python function time-dependent format requires two Python
functions, one for each collapse coefficient. Therefore, this problem could
be expressed as::
def H1_coeff(t,args):
return sin(args['w']*t)
def C1_coeff(t,args):
return exp(-args['a']*t)
H = [H0, [H1, H1_coeff]]
c_ops = [C0, [C1, C1_coeff]]
args={'a': A, 'w': W}
or in String (Cython) format we could write::
H = [H0, [H1, 'sin(w*t)']]
c_ops = [C0, [C1, 'exp(-a*t)']]
args={'a': A, 'w': W}
Constant terms are preferably placed first in the Hamiltonian and collapse
operator lists.
Parameters
----------
H : :class:`qutip.Qobj`
System Hamiltonian.
psi0 : :class:`qutip.Qobj`
Initial state vector
tlist : array_like
Times at which results are recorded.
ntraj : int
Number of trajectories to run.
c_ops : array_like
single collapse operator or ``list`` or ``array`` of collapse
operators.
e_ops : array_like
single operator or ``list`` or ``array`` of operators for calculating
expectation values.
args : dict
Arguments for time-dependent Hamiltonian and collapse operator terms.
options : Options
Instance of ODE solver options.
progress_bar: BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation. Set to None to disable the
progress bar.
map_func: function
A map function for managing the calls to the single-trajactory solver.
map_kwargs: dictionary
Optional keyword arguments to the map_func function.
Returns
-------
results : :class:`qutip.solver.Result`
Object storing all results from the simulation.
.. note::
It is possible to reuse the random number seeds from a previous run
of the mcsolver by passing the output Result object seeds via the
Options class, i.e. Options(seeds=prev_result.seeds).
"""
if debug:
print(inspect.stack()[0][3])
if options is None:
options = Options()
if ntraj is None:
ntraj = options.ntraj
config.map_func = map_func if map_func is not None else parallel_map
config.map_kwargs = map_kwargs if map_kwargs is not None else {}
if not psi0.isket:
raise Exception("Initial state must be a state vector.")
if isinstance(c_ops, Qobj):
c_ops = [c_ops]
if isinstance(e_ops, Qobj):
e_ops = [e_ops]
if isinstance(e_ops, dict):
e_ops_dict = e_ops
e_ops = [e for e in e_ops.values()]
else:
e_ops_dict = None
config.options = options
if progress_bar:
if progress_bar is True:
config.progress_bar = TextProgressBar()
else:
config.progress_bar = progress_bar
else:
config.progress_bar = BaseProgressBar()
# set num_cpus to the value given in qutip.settings if none in Options
if not config.options.num_cpus:
config.options.num_cpus = qutip.settings.num_cpus
if config.options.num_cpus == 1:
# fallback on serial_map if num_cpu == 1, since there is no
# benefit of starting multiprocessing in this case
config.map_func = serial_map
# set initial value data
if options.tidy:
config.psi0 = psi0.tidyup(options.atol).full().ravel()
else:
config.psi0 = psi0.full().ravel()
config.psi0_dims = psi0.dims
config.psi0_shape = psi0.shape
# set options on ouput states
if config.options.steady_state_average:
config.options.average_states = True
# set general items
config.tlist = tlist
if isinstance(ntraj, (list, np.ndarray)):
config.ntraj = np.sort(ntraj)[-1]
else:
config.ntraj = ntraj
# set norm finding constants
config.norm_tol = options.norm_tol
config.norm_steps = options.norm_steps
# convert array based time-dependence to string format
H, c_ops, args = _td_wrap_array_str(H, c_ops, args, tlist)
# SETUP ODE DATA IF NONE EXISTS OR NOT REUSING
# --------------------------------------------
if not options.rhs_reuse or not config.tdfunc:
# reset config collapse and time-dependence flags to default values
config.soft_reset()
# check for type of time-dependence (if any)
time_type, h_stuff, c_stuff = _td_format_check(H, c_ops, 'mc')
c_terms = len(c_stuff[0]) + len(c_stuff[1]) + len(c_stuff[2])
# set time_type for use in multiprocessing
config.tflag = time_type
# check for collapse operators
if c_terms > 0:
config.cflag = 1
else:
config.cflag = 0
# Configure data
_mc_data_config(H, psi0, h_stuff, c_ops, c_stuff, args, e_ops,
options, config)
# compile and load cython functions if necessary
_mc_func_load(config)
else:
# setup args for new parameters when rhs_reuse=True and tdfunc is given
# string based
if config.tflag in [1, 10, 11]:
if any(args):
config.c_args = []
arg_items = list(args.items())
for k in range(len(arg_items)):
config.c_args.append(arg_items[k][1])
# function based
elif config.tflag in [2, 3, 20, 22]:
config.h_func_args = args
# load monte carlo class
mc = _MC(config)
# Run the simulation
mc.run()
# Remove RHS cython file if necessary
if not options.rhs_reuse and config.tdname:
_cython_build_cleanup(config.tdname)
# AFTER MCSOLVER IS DONE
# ----------------------
# Store results in the Result object
output = Result()
output.solver = 'mcsolve'
output.seeds = config.options.seeds
# state vectors
if (mc.psi_out is not None and config.options.average_states
and config.cflag and ntraj != 1):
output.states = parfor(_mc_dm_avg, mc.psi_out.T)
elif mc.psi_out is not None:
output.states = mc.psi_out
# expectation values
if (mc.expect_out is not None and config.cflag
and config.options.average_expect):
# averaging if multiple trajectories
if isinstance(ntraj, int):
output.expect = [np.mean(np.array([mc.expect_out[nt][op]
for nt in range(ntraj)],
dtype=object),
axis=0)
for op in range(config.e_num)]
elif isinstance(ntraj, (list, np.ndarray)):
output.expect = []
for num in ntraj:
expt_data = np.mean(mc.expect_out[:num], axis=0)
data_list = []
if any([not op.isherm for op in e_ops]):
for k in range(len(e_ops)):
if e_ops[k].isherm:
data_list.append(np.real(expt_data[k]))
else:
data_list.append(expt_data[k])
else:
data_list = [data for data in expt_data]
output.expect.append(data_list)
else:
# no averaging for single trajectory or if average_expect flag
# (Options) is off
if mc.expect_out is not None:
output.expect = mc.expect_out
# simulation parameters
output.times = config.tlist
output.num_expect = config.e_num
output.num_collapse = config.c_num
output.ntraj = config.ntraj
output.col_times = mc.collapse_times_out
output.col_which = mc.which_op_out
if e_ops_dict:
output.expect = {e: output.expect[n]
for n, e in enumerate(e_ops_dict.keys())}
return output
def _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar):
"""
Internal function for solving ME. Solve an ODE which solver parameters
already setup (r). Calculate the required expectation values or invoke
callback function at each time step.
"""
#
# prepare output array
#
n_tsteps = len(tlist)
e_sops_data = []
output = Result()
output.solver = "mesolve"
output.times = tlist
if opt.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
progress_bar.start(n_tsteps)
rho = Qobj(rho0)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
if opt.store_states or expt_callback:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(r.y), rho.shape[0], rho.shape[1])
if opt.store_states:
output.states.append(Qobj(rho, isherm=True))
if expt_callback:
# use callback method
e_ops(t, rho)
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][t_idx] = expect_rho_vec(e_sops_data[m],
r.y, 0)
else:
output.expect[m][t_idx] = expect_rho_vec(e_sops_data[m],
r.y, 1)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if (not opt.rhs_reuse) and (config.tdname is not None):
_cython_build_cleanup(config.tdname)
if opt.store_final_state:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(r.y), rho.shape[0], rho.shape[1])
output.final_state = Qobj(rho, dims=rho0.dims, isherm=True)
return output
def _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar):
"""
Internal function for solving ME. Solve an ODE which solver parameters
already setup (r). Calculate the required expectation values or invoke
callback function at each time step.
"""
#
# prepare output array
#
n_tsteps = len(tlist)
e_sops_data = []
output = Result()
output.solver = "mesolve"
output.times = tlist
if opt.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
progress_bar.start(n_tsteps)
rho = Qobj(rho0)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
if opt.store_states or expt_callback:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(r.y), rho.shape[0],
rho.shape[1])
if opt.store_states:
output.states.append(Qobj(rho, isherm=True))
if expt_callback:
# use callback method
e_ops(t, rho)
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], r.y, 0)
else:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], r.y, 1)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if (not opt.rhs_reuse) and (config.tdname is not None):
_cython_build_cleanup(config.tdname)
if opt.store_final_state:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(r.y), rho.shape[0],
rho.shape[1])
output.final_state = Qobj(rho, dims=rho0.dims, isherm=True)
return output
def brmesolve(H, psi0, tlist, a_ops, e_ops=[], spectra_cb=[], c_ops=[],
args={}, options=Options()):
"""
Solve the dynamics for a system using the Bloch-Redfield master equation.
.. note::
This solver does not currently support time-dependent Hamiltonians.
Parameters
----------
H : :class:`qutip.Qobj`
System Hamiltonian.
rho0 / psi0: :class:`qutip.Qobj`
Initial density matrix or state vector (ket).
tlist : *list* / *array*
List of times for :math:`t`.
a_ops : list of :class:`qutip.qobj`
List of system operators that couple to bath degrees of freedom.
e_ops : list of :class:`qutip.qobj` / callback function
List of operators for which to evaluate expectation values.
c_ops : list of :class:`qutip.qobj`
List of system collapse operators.
args : *dictionary*
Placeholder for future implementation, kept for API consistency.
options : :class:`qutip.solver.Options`
Options for the solver.
Returns
-------
result: :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`, which contains
either an array of expectation values, for operators given in e_ops,
or a list of states for the times specified by `tlist`.
"""
if not spectra_cb:
# default to infinite temperature white noise
spectra_cb = [lambda w: 1.0 for _ in a_ops]
R, ekets = bloch_redfield_tensor(H, a_ops, spectra_cb, c_ops)
output = Result()
output.solver = "brmesolve"
output.times = tlist
results = bloch_redfield_solve(R, ekets, psi0, tlist, e_ops, options)
if e_ops:
output.expect = results
else:
output.states = results
return output
def _td_brmesolve(H, psi0, tlist, a_ops=[], e_ops=[], c_ops=[], args={},
use_secular=True, sec_cutoff=0.1,
tol=qset.atol, options=None,
progress_bar=None,_safe_mode=True,
verbose=False,
_prep_time=0):
if isket(psi0):
rho0 = ket2dm(psi0)
else:
rho0 = psi0
nrows = rho0.shape[0]
H_terms = []
H_td_terms = []
H_obj = []
A_terms = []
A_td_terms = []
C_terms = []
C_td_terms = []
CA_obj = []
spline_count = [0,0]
coupled_ops = []
coupled_lengths = []
coupled_spectra = []
if isinstance(H, Qobj):
H_terms.append(H.full('f'))
H_td_terms.append('1')
else:
for kk, h in enumerate(H):
if isinstance(h, Qobj):
H_terms.append(h.full('f'))
H_td_terms.append('1')
elif isinstance(h, list):
H_terms.append(h[0].full('f'))
if isinstance(h[1], Cubic_Spline):
H_obj.append(h[1].coeffs)
spline_count[0] += 1
H_td_terms.append(h[1])
else:
raise Exception('Invalid Hamiltonian specification.')
for kk, c in enumerate(c_ops):
if isinstance(c, Qobj):
C_terms.append(c.full('f'))
C_td_terms.append('1')
elif isinstance(c, list):
C_terms.append(c[0].full('f'))
if isinstance(c[1], Cubic_Spline):
CA_obj.append(c[1].coeffs)
spline_count[0] += 1
C_td_terms.append(c[1])
else:
raise Exception('Invalid collapse operator specification.')
coupled_offset = 0
for kk, a in enumerate(a_ops):
if isinstance(a, list):
if isinstance(a[0], Qobj):
A_terms.append(a[0].full('f'))
A_td_terms.append(a[1])
if isinstance(a[1], tuple):
if not len(a[1])==2:
raise Exception('Tuple must be len=2.')
if isinstance(a[1][0],Cubic_Spline):
spline_count[1] += 1
if isinstance(a[1][1],Cubic_Spline):
spline_count[1] += 1
elif isinstance(a[0], tuple):
if not isinstance(a[1], tuple):
raise Exception('Invalid bath-coupling specification.')
if (len(a[0])+1) != len(a[1]):
raise Exception('BR a_ops tuple lengths not compatible.')
coupled_ops.append(kk+coupled_offset)
coupled_lengths.append(len(a[0]))
coupled_spectra.append(a[1][0])
coupled_offset += len(a[0])-1
if isinstance(a[1][0],Cubic_Spline):
spline_count[1] += 1
for nn, _a in enumerate(a[0]):
A_terms.append(_a.full('f'))
A_td_terms.append(a[1][nn+1])
if isinstance(a[1][nn+1],Cubic_Spline):
CA_obj.append(a[1][nn+1].coeffs)
spline_count[1] += 1
else:
raise Exception('Invalid bath-coupling specification.')
string_list = []
for kk,_ in enumerate(H_td_terms):
string_list.append("H_terms[{0}]".format(kk))
for kk,_ in enumerate(H_obj):
string_list.append("H_obj[{0}]".format(kk))
for kk,_ in enumerate(C_td_terms):
string_list.append("C_terms[{0}]".format(kk))
for kk,_ in enumerate(CA_obj):
string_list.append("CA_obj[{0}]".format(kk))
for kk,_ in enumerate(A_td_terms):
string_list.append("A_terms[{0}]".format(kk))
#Add nrows to parameters
string_list.append('nrows')
for name, value in args.items():
if isinstance(value, np.ndarray):
raise TypeError('NumPy arrays not valid args for BR solver.')
else:
string_list.append(str(value))
parameter_string = ",".join(string_list)
if verbose:
print('BR prep time:', time.time()-_prep_time)
#
# generate and compile new cython code if necessary
#
if not options.rhs_reuse or config.tdfunc is None:
if options.rhs_filename is None:
config.tdname = "rhs" + str(os.getpid()) + str(config.cgen_num)
else:
config.tdname = opt.rhs_filename
if verbose:
_st = time.time()
cgen = BR_Codegen(h_terms=len(H_terms),
h_td_terms=H_td_terms, h_obj=H_obj,
c_terms=len(C_terms),
c_td_terms=C_td_terms, c_obj=CA_obj,
a_terms=len(A_terms), a_td_terms=A_td_terms,
spline_count=spline_count,
coupled_ops = coupled_ops,
coupled_lengths = coupled_lengths,
coupled_spectra = coupled_spectra,
config=config, sparse=False,
use_secular = use_secular,
sec_cutoff = sec_cutoff,
args=args,
use_openmp=options.use_openmp,
omp_thresh=qset.openmp_thresh if qset.has_openmp else None,
omp_threads=options.num_cpus,
atol=tol)
cgen.generate(config.tdname + ".pyx")
code = compile('from ' + config.tdname + ' import cy_td_ode_rhs',
'<string>', 'exec')
exec(code, globals())
config.tdfunc = cy_td_ode_rhs
if verbose:
print('BR compile time:', time.time()-_st)
initial_vector = mat2vec(rho0.full()).ravel()
_ode = scipy.integrate.ode(config.tdfunc)
code = compile('_ode.set_f_params(' + parameter_string + ')',
'<string>', 'exec')
_ode.set_integrator('zvode', method=options.method,
order=options.order, atol=options.atol,
rtol=options.rtol, nsteps=options.nsteps,
first_step=options.first_step,
min_step=options.min_step,
max_step=options.max_step)
_ode.set_initial_value(initial_vector, tlist[0])
exec(code, locals())
#
# prepare output array
#
n_tsteps = len(tlist)
e_sops_data = []
output = Result()
output.solver = "brmesolve"
output.times = tlist
if options.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
output.states = []
options.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
if type(progress_bar)==BaseProgressBar and verbose:
_run_time = time.time()
progress_bar.start(n_tsteps)
rho = Qobj(rho0)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not _ode.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
if options.store_states or expt_callback:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(_ode.y), rho.shape[0], rho.shape[1])
if options.store_states:
output.states.append(Qobj(rho, isherm=True))
if expt_callback:
# use callback method
e_ops(t, rho)
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][t_idx] = expect_rho_vec(e_sops_data[m],
_ode.y, 0)
else:
output.expect[m][t_idx] = expect_rho_vec(e_sops_data[m],
_ode.y, 1)
if t_idx < n_tsteps - 1:
_ode.integrate(_ode.t + dt[t_idx])
progress_bar.finished()
if type(progress_bar)==BaseProgressBar and verbose:
print('BR runtime:', time.time()-_run_time)
if (not options.rhs_reuse) and (config.tdname is not None):
_cython_build_cleanup(config.tdname)
if options.store_final_state:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(_ode.y), rho.shape[0], rho.shape[1])
output.final_state = Qobj(rho, dims=rho0.dims, isherm=True)
return output
def fsesolve(H, psi0, tlist, e_ops=[], T=None, args={}, Tsteps=100):
"""
Solve the Schrodinger equation using the Floquet formalism.
Parameters
----------
H : :class:`qutip.qobj.Qobj`
System Hamiltonian, time-dependent with period `T`.
psi0 : :class:`qutip.qobj`
Initial state vector (ket).
tlist : *list* / *array*
list of times for :math:`t`.
e_ops : list of :class:`qutip.qobj` / callback function
list of operators for which to evaluate expectation values. If this
list is empty, the state vectors for each time in `tlist` will be
returned instead of expectation values.
T : float
The period of the time-dependence of the hamiltonian.
args : dictionary
Dictionary with variables required to evaluate H.
Tsteps : integer
The number of time steps in one driving period for which to
precalculate the Floquet modes. `Tsteps` should be an even number.
Returns
-------
output : :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`, which
contains either an *array* of expectation values or an array of
state vectors, for the times specified by `tlist`.
"""
if not T:
# assume that tlist span exactly one period of the driving
T = tlist[-1]
# find the floquet modes for the time-dependent hamiltonian
f_modes_0, f_energies = floquet_modes(H, T, args)
# calculate the wavefunctions using the from the floquet modes
f_modes_table_t = floquet_modes_table(f_modes_0, f_energies,
np.linspace(0, T, Tsteps + 1),
H, T, args)
# setup Result for storing the results
output = Result()
output.times = tlist
output.solver = "fsesolve"
if isinstance(e_ops, FunctionType):
output.num_expect = 0
expt_callback = True
elif isinstance(e_ops, list):
output.num_expect = len(e_ops)
expt_callback = False
if output.num_expect == 0:
output.states = []
else:
output.expect = []
for op in e_ops:
if op.isherm:
output.expect.append(np.zeros(len(tlist)))
else:
output.expect.append(np.zeros(len(tlist), dtype=complex))
else:
raise TypeError("e_ops must be a list Qobj or a callback function")
psi0_fb = psi0.transform(f_modes_0)
for t_idx, t in enumerate(tlist):
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
f_states_t = floquet_states(f_modes_t, f_energies, t)
psi_t = psi0_fb.transform(f_states_t, True)
if expt_callback:
# use callback method
e_ops(t, psi_t)
else:
# calculate all the expectation values, or output psi if
# no expectation value operators where defined
if output.num_expect == 0:
output.states.append(Qobj(psi_t))
else:
for e_idx, e in enumerate(e_ops):
output.expect[e_idx][t_idx] = expect(e, psi_t)
return output
def run(self, rho0, tlist, e_ops=None, ado_init=False, ado_return=False):
"""
Solve for the time evolution of the system.
Parameters
----------
rho0 : Qobj or HierarchyADOsState or numpy.array
Initial state (:obj:`~Qobj` density matrix) of the system
if ``ado_init`` is ``False``.
If ``ado_init`` is ``True``, then ``rho0`` should be an
instance of :obj:`~HierarchyADOsState` or a numpy array
giving the initial state of all ADOs. Usually
the state of the ADOs would be determine from a previous call
to ``.run(..., ado_return=True)``. For example,
``result = solver.run(..., ado_return=True)`` could be followed
by ``solver.run(result.ado_states[-1], tlist, ado_init=True)``.
If a numpy array is passed its shape must be
``(number_of_ados, n, n)`` where ``(n, n)`` is the system shape
(i.e. shape of the system density matrix) and the ADOs must be
in the same order as in ``.ados.labels``.
tlist : list
An ordered list of times at which to return the value of the state.
e_ops : Qobj / callable / list / dict / None, optional
A list or dictionary of operators as `Qobj` and/or callable
functions (they can be mixed) or a single operator or callable
function. For an operator ``op``, the result will be computed
using ``(state * op).tr()`` and the state at each time ``t``. For
callable functions, ``f``, the result is computed using
``f(t, ado_state)``. The values are stored in ``expect`` on
(see the return section below).
ado_init: bool, default False
Indicates if initial condition is just the system state, or a
numpy array including all ADOs.
ado_return: bool, default True
Whether to also return as output the full state of all ADOs.
Returns
-------
:class:`qutip.solver.Result`
The results of the simulation run, with the following attributes:
* ``times``: the times ``t`` (i.e. the ``tlist``).
* ``states``: the system state at each time ``t`` (only available
if ``e_ops`` was ``None`` or if the solver option
``store_states`` was set to ``True``).
* ``ado_states``: the full ADO state at each time (only available
if ``ado_return`` was set to ``True``). Each element is an
instance of :class:`HierarchyADOsState`. .
The state of a particular ADO may be extracted from
``result.ado_states[i]`` by calling :meth:`.extract`.
* ``expect``: the value of each ``e_ops`` at time ``t`` (only
available if ``e_ops`` were given). If ``e_ops`` was passed
as a dictionary, then ``expect`` will be a dictionary with
the same keys as ``e_ops`` and values giving the list of
outcomes for the corresponding key.
"""
e_ops, expected = self._convert_e_ops(e_ops)
e_ops_callables = any(not isinstance(op, Qobj)
for op in e_ops.values())
n = self._sys_shape
rho_shape = (n, n)
rho_dims = self._sys_dims
hierarchy_shape = (self._n_ados, n, n)
output = Result()
output.solver = "HEOMSolver"
output.times = tlist
if e_ops:
output.expect = expected
if not e_ops or self.options.store_states:
output.states = []
if ado_init:
if isinstance(rho0, HierarchyADOsState):
rho0_he = rho0._ado_state
else:
rho0_he = rho0
if rho0_he.shape != hierarchy_shape:
raise ValueError(
f"ADOs passed with ado_init have shape {rho0_he.shape}"
f"but the solver hierarchy shape is {hierarchy_shape}")
rho0_he = rho0_he.reshape(n**2 * self._n_ados)
else:
rho0_he = np.zeros([n**2 * self._n_ados], dtype=complex)
rho0_he[:n**2] = rho0.full().ravel('F')
if ado_return:
output.ado_states = []
solver = self._ode
solver.set_initial_value(rho0_he, tlist[0])
self.progress_bar.start(len(tlist))
for t_idx, t in enumerate(tlist):
self.progress_bar.update(t_idx)
if t_idx != 0:
solver.integrate(t)
if not solver.successful():
raise RuntimeError(
"HEOMSolver ODE integration error. Try increasing"
" the nsteps given in the HEOMSolver options"
" (which increases the allowed substeps in each"
" step between times given in tlist).")
rho = Qobj(
solver.y[:n**2].reshape(rho_shape, order='F'),
dims=rho_dims,
)
if self.options.store_states:
output.states.append(rho)
if ado_return or e_ops_callables:
ado_state = HierarchyADOsState(
rho, self.ados, solver.y.reshape(hierarchy_shape))
if ado_return:
output.ado_states.append(ado_state)
for e_key, e_op in e_ops.items():
if isinstance(e_op, Qobj):
e_result = (rho * e_op).tr()
else:
e_result = e_op(t, ado_state)
output.expect[e_key].append(e_result)
self.progress_bar.finished()
return output
def _td_brmesolve(H,
psi0,
tlist,
a_ops=[],
e_ops=[],
c_ops=[],
use_secular=True,
tol=qset.atol,
options=None,
progress_bar=None,
_safe_mode=True):
if isket(psi0):
rho0 = ket2dm(psi0)
else:
rho0 = psi0
nrows = rho0.shape[0]
H_terms = []
H_td_terms = []
H_obj = []
A_terms = []
A_td_terms = []
C_terms = []
C_td_terms = []
C_obj = []
spline_count = [0, 0]
if isinstance(H, Qobj):
H_terms.append(H.full('f'))
H_td_terms.append('1')
else:
for kk, h in enumerate(H):
if isinstance(h, Qobj):
H_terms.append(h.full('f'))
H_td_terms.append('1')
elif isinstance(h, list):
H_terms.append(h[0].full('f'))
if isinstance(h[1], Cubic_Spline):
H_obj.append(h[1].coeffs)
spline_count[0] += 1
H_td_terms.append(h[1])
else:
raise Exception('Invalid Hamiltonian specifiction.')
for kk, c in enumerate(c_ops):
if isinstance(c, Qobj):
C_terms.append(c.full('f'))
C_td_terms.append('1')
elif isinstance(c, list):
C_terms.append(c[0].full('f'))
if isinstance(c[1], Cubic_Spline):
C_obj.append(c[1].coeffs)
spline_count[0] += 1
C_td_terms.append(c[1])
else:
raise Exception('Invalid collape operator specifiction.')
for kk, a in enumerate(a_ops):
if isinstance(a, list):
A_terms.append(a[0].full('f'))
A_td_terms.append(a[1])
if isinstance(a[1], tuple):
if not len(a[1]) == 2:
raise Exception('Tuple must be len=2.')
if isinstance(a[1][0], Cubic_Spline):
spline_count[1] += 1
if isinstance(a[1][1], Cubic_Spline):
spline_count[1] += 1
else:
raise Exception('Invalid bath-coupling specifiction.')
string_list = []
for kk, _ in enumerate(H_td_terms):
string_list.append("H_terms[{0}]".format(kk))
for kk, _ in enumerate(H_obj):
string_list.append("H_obj[{0}]".format(kk))
for kk, _ in enumerate(C_td_terms):
string_list.append("C_terms[{0}]".format(kk))
for kk, _ in enumerate(C_obj):
string_list.append("C_obj[{0}]".format(kk))
for kk, _ in enumerate(A_td_terms):
string_list.append("A_terms[{0}]".format(kk))
#Add nrows to parameters
string_list.append('nrows')
parameter_string = ",".join(string_list)
#
# generate and compile new cython code if necessary
#
if not options.rhs_reuse or config.tdfunc is None:
if options.rhs_filename is None:
config.tdname = "rhs" + str(os.getpid()) + str(config.cgen_num)
else:
config.tdname = opt.rhs_filename
cgen = BR_Codegen(
h_terms=len(H_terms),
h_td_terms=H_td_terms,
h_obj=H_obj,
c_terms=len(C_terms),
c_td_terms=C_td_terms,
c_obj=C_obj,
a_terms=len(A_terms),
a_td_terms=A_td_terms,
spline_count=spline_count,
config=config,
sparse=False,
use_secular=use_secular,
use_openmp=options.use_openmp,
omp_thresh=qset.openmp_thresh if qset.has_openmp else None,
omp_threads=options.num_cpus,
atol=tol)
cgen.generate(config.tdname + ".pyx")
code = compile('from ' + config.tdname + ' import cy_td_ode_rhs',
'<string>', 'exec')
exec(code, globals())
config.tdfunc = cy_td_ode_rhs
initial_vector = mat2vec(rho0.full()).ravel()
_ode = scipy.integrate.ode(config.tdfunc)
code = compile('_ode.set_f_params(' + parameter_string + ')', '<string>',
'exec')
_ode.set_integrator('zvode',
method=options.method,
order=options.order,
atol=options.atol,
rtol=options.rtol,
nsteps=options.nsteps,
first_step=options.first_step,
min_step=options.min_step,
max_step=options.max_step)
_ode.set_initial_value(initial_vector, tlist[0])
exec(code, locals())
#
# prepare output array
#
n_tsteps = len(tlist)
e_sops_data = []
output = Result()
output.solver = "brmesolve"
output.times = tlist
if options.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
output.states = []
options.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
progress_bar.start(n_tsteps)
rho = Qobj(rho0)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not _ode.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
if options.store_states or expt_callback:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(_ode.y), rho.shape[0],
rho.shape[1])
if options.store_states:
output.states.append(Qobj(rho, isherm=True))
if expt_callback:
# use callback method
e_ops(t, rho)
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], _ode.y, 0)
else:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], _ode.y, 1)
if t_idx < n_tsteps - 1:
_ode.integrate(_ode.t + dt[t_idx])
progress_bar.finished()
if (not options.rhs_reuse) and (config.tdname is not None):
_cython_build_cleanup(config.tdname)
if options.store_final_state:
rho.data = dense2D_to_fastcsr_fmode(vec2mat(_ode.y), rho.shape[0],
rho.shape[1])
output.final_state = Qobj(rho, dims=rho0.dims, isherm=True)
return output
def _generic_ode_solve(r, psi0, tlist, e_ops, opt, progress_bar, dims=None):
"""
Internal function for solving ODEs.
"""
#
# prepare output array
#
n_tsteps = len(tlist)
output = Result()
output.solver = "sesolve"
output.times = tlist
if psi0.isunitary:
oper_evo = True
oper_n = dims[0][0]
norm_dim_factor = np.sqrt(oper_n)
else:
oper_evo = False
norm_dim_factor = 1.0
if opt.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fallback on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
def get_curr_state_data():
if oper_evo:
return vec2mat(r.y)
else:
return r.y
#
# start evolution
#
progress_bar.start(n_tsteps)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
# get the current state / oper data if needed
cdata = None
if opt.store_states or opt.normalize_output or n_expt_op > 0:
cdata = get_curr_state_data()
if opt.normalize_output:
# cdata *= _get_norm_factor(cdata, oper_evo)
cdata *= norm_dim_factor / la_norm(cdata)
if oper_evo:
r.set_initial_value(cdata.ravel('F'), r.t)
else:
r.set_initial_value(cdata, r.t)
if opt.store_states:
output.states.append(Qobj(cdata, dims=dims))
if expt_callback:
# use callback method
e_ops(t, Qobj(cdata, dims=dims))
for m in range(n_expt_op):
output.expect[m][t_idx] = cy_expect_psi(e_ops[m].data,
cdata, e_ops[m].isherm)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if not opt.rhs_reuse and config.tdname is not None:
try:
os.remove(config.tdname + ".pyx")
except:
pass
if opt.store_final_state:
cdata = get_curr_state_data()
if opt.normalize_output:
cdata *= norm_dim_factor / la_norm(cdata)
output.final_state = Qobj(cdata, dims=dims)
return output
def ttmsolve(dynmaps, rho0, times, e_ops=[], learningtimes=None, tensors=None,
**kwargs):
"""
Solve time-evolution using the Transfer Tensor Method, based on a set of
precomputed dynamical maps.
Parameters
----------
dynmaps : list of :class:`qutip.Qobj`
List of precomputed dynamical maps (superoperators),
or a callback function that returns the
superoperator at a given time.
rho0 : :class:`qutip.Qobj`
Initial density matrix or state vector (ket).
times : array_like
list of times :math:`t_n` at which to compute :math:`\\rho(t_n)`.
Must be uniformily spaced.
e_ops : list of :class:`qutip.Qobj` / callback function
single operator or list of operators for which to evaluate
expectation values.
learningtimes : array_like
list of times :math:`t_k` for which we have knowledge of the dynamical
maps :math:`E(t_k)`.
tensors : array_like
optional list of precomputed tensors :math:`T_k`
kwargs : dictionary
Optional keyword arguments. See
:class:`qutip.nonmarkov.ttm.TTMSolverOptions`.
Returns
-------
output: :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`.
"""
opt = TTMSolverOptions(dynmaps=dynmaps, times=times,
learningtimes=learningtimes, **kwargs)
diff = None
if isket(rho0):
rho0 = ket2dm(rho0)
output = Result()
e_sops_data = []
if callable(e_ops):
n_expt_op = 0
expt_callback = True
else:
try:
tmp = e_ops[:]
del tmp
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
opt.store_states = True
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(len(times)))
else:
output.expect.append(np.zeros(len(times), dtype=complex))
except TypeError:
raise TypeError("Argument 'e_ops' should be a callable or" +
"list-like.")
if tensors is None:
tensors, diff = _generatetensors(dynmaps, learningtimes, opt=opt)
rho0vec = operator_to_vector(rho0)
K = len(tensors)
states = [rho0vec]
for n in range(1, len(times)):
states.append(None)
for k in range(n):
if n-k < K:
states[-1] += tensors[n-k]*states[k]
for i, r in enumerate(states):
if opt.store_states or expt_callback:
if r.type == 'operator-ket':
states[i] = vector_to_operator(r)
else:
states[i] = r
if expt_callback:
# use callback method
e_ops(times[i], states[i])
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][i] = expect_rho_vec(e_sops_data[m], r, 0)
else:
output.expect[m][i] = expect_rho_vec(e_sops_data[m], r, 1)
output.solver = "ttmsolve"
output.times = times
output.ttmconvergence = diff
if opt.store_states:
output.states = states
return output
def mcsolve(H, psi0, tlist, c_ops, e_ops, ntraj=None,
args={}, options=None, progress_bar=True,
map_func=None, map_kwargs=None):
"""Monte Carlo evolution of a state vector :math:`|\psi \\rangle` for a
given Hamiltonian and sets of collapse operators, and possibly, operators
for calculating expectation values. Options for the underlying ODE solver
are given by the Options class.
mcsolve supports time-dependent Hamiltonians and collapse operators using
either Python functions of strings to represent time-dependent
coefficients. Note that, the system Hamiltonian MUST have at least one
constant term.
As an example of a time-dependent problem, consider a Hamiltonian with two
terms ``H0`` and ``H1``, where ``H1`` is time-dependent with coefficient
``sin(w*t)``, and collapse operators ``C0`` and ``C1``, where ``C1`` is
time-dependent with coeffcient ``exp(-a*t)``. Here, w and a are constant
arguments with values ``W`` and ``A``.
Using the Python function time-dependent format requires two Python
functions, one for each collapse coefficient. Therefore, this problem could
be expressed as::
def H1_coeff(t,args):
return sin(args['w']*t)
def C1_coeff(t,args):
return exp(-args['a']*t)
H = [H0, [H1, H1_coeff]]
c_ops = [C0, [C1, C1_coeff]]
args={'a': A, 'w': W}
or in String (Cython) format we could write::
H = [H0, [H1, 'sin(w*t)']]
c_ops = [C0, [C1, 'exp(-a*t)']]
args={'a': A, 'w': W}
Constant terms are preferably placed first in the Hamiltonian and collapse
operator lists.
Parameters
----------
H : :class:`qutip.Qobj`
System Hamiltonian.
psi0 : :class:`qutip.Qobj`
Initial state vector
tlist : array_like
Times at which results are recorded.
ntraj : int
Number of trajectories to run.
c_ops : array_like
single collapse operator or ``list`` or ``array`` of collapse
operators.
e_ops : array_like
single operator or ``list`` or ``array`` of operators for calculating
expectation values.
args : dict
Arguments for time-dependent Hamiltonian and collapse operator terms.
options : Options
Instance of ODE solver options.
progress_bar: BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation. Set to None to disable the
progress bar.
map_func: function
A map function for managing the calls to the single-trajactory solver.
map_kwargs: dictionary
Optional keyword arguments to the map_func function.
Returns
-------
results : :class:`qutip.solver.Result`
Object storing all results from the simulation.
.. note::
It is possible to reuse the random number seeds from a previous run
of the mcsolver by passing the output Result object seeds via the
Options class, i.e. Options(seeds=prev_result.seeds).
"""
if debug:
print(inspect.stack()[0][3])
if options is None:
options = Options()
if ntraj is None:
ntraj = options.ntraj
config.map_func = map_func if map_func is not None else parallel_map
config.map_kwargs = map_kwargs if map_kwargs is not None else {}
if not psi0.isket:
raise Exception("Initial state must be a state vector.")
if isinstance(c_ops, Qobj):
c_ops = [c_ops]
if isinstance(e_ops, Qobj):
e_ops = [e_ops]
if isinstance(e_ops, dict):
e_ops_dict = e_ops
e_ops = [e for e in e_ops.values()]
else:
e_ops_dict = None
config.options = options
if progress_bar:
if progress_bar is True:
config.progress_bar = TextProgressBar()
else:
config.progress_bar = progress_bar
else:
config.progress_bar = BaseProgressBar()
# set num_cpus to the value given in qutip.settings if none in Options
if not config.options.num_cpus:
config.options.num_cpus = qutip.settings.num_cpus
if config.options.num_cpus == 1:
# fallback on serial_map if num_cpu == 1, since there is no
# benefit of starting multiprocessing in this case
config.map_func = serial_map
# set initial value data
if options.tidy:
config.psi0 = psi0.tidyup(options.atol).full().ravel()
else:
config.psi0 = psi0.full().ravel()
config.psi0_dims = psi0.dims
config.psi0_shape = psi0.shape
# set options on ouput states
if config.options.steady_state_average:
config.options.average_states = True
# set general items
config.tlist = tlist
if isinstance(ntraj, (list, np.ndarray)):
config.ntraj = np.sort(ntraj)[-1]
else:
config.ntraj = ntraj
# set norm finding constants
config.norm_tol = options.norm_tol
config.norm_steps = options.norm_steps
# convert array based time-dependence to string format
H, c_ops, args = _td_wrap_array_str(H, c_ops, args, tlist)
# SETUP ODE DATA IF NONE EXISTS OR NOT REUSING
# --------------------------------------------
if not options.rhs_reuse or not config.tdfunc:
# reset config collapse and time-dependence flags to default values
config.soft_reset()
# check for type of time-dependence (if any)
time_type, h_stuff, c_stuff = _td_format_check(H, c_ops, 'mc')
c_terms = len(c_stuff[0]) + len(c_stuff[1]) + len(c_stuff[2])
# set time_type for use in multiprocessing
config.tflag = time_type
# check for collapse operators
if c_terms > 0:
config.cflag = 1
else:
config.cflag = 0
# Configure data
_mc_data_config(H, psi0, h_stuff, c_ops, c_stuff, args, e_ops,
options, config)
# compile and load cython functions if necessary
_mc_func_load(config)
else:
# setup args for new parameters when rhs_reuse=True and tdfunc is given
# string based
if config.tflag in [1, 10, 11]:
if any(args):
config.c_args = []
arg_items = list(args.items())
for k in range(len(arg_items)):
config.c_args.append(arg_items[k][1])
# function based
elif config.tflag in [2, 3, 20, 22]:
config.h_func_args = args
# load monte carlo class
mc = _MC(config)
# Run the simulation
mc.run()
# Remove RHS cython file if necessary
if not options.rhs_reuse and config.tdname:
_cython_build_cleanup(config.tdname)
# AFTER MCSOLVER IS DONE
# ----------------------
# Store results in the Result object
output = Result()
output.solver = 'mcsolve'
output.seeds = config.options.seeds
# state vectors
if (mc.psi_out is not None and config.options.average_states
and config.cflag and ntraj != 1):
output.states = parfor(_mc_dm_avg, mc.psi_out.T)
elif mc.psi_out is not None:
output.states = mc.psi_out
# expectation values
if (mc.expect_out is not None and config.cflag
and config.options.average_expect):
# averaging if multiple trajectories
if isinstance(ntraj, int):
output.expect = [np.mean(np.array([mc.expect_out[nt][op]
for nt in range(ntraj)],
dtype=object),
axis=0)
for op in range(config.e_num)]
elif isinstance(ntraj, (list, np.ndarray)):
output.expect = []
for num in ntraj:
expt_data = np.mean(mc.expect_out[:num], axis=0)
data_list = []
if any([not op.isherm for op in e_ops]):
for k in range(len(e_ops)):
if e_ops[k].isherm:
data_list.append(np.real(expt_data[k]))
else:
data_list.append(expt_data[k])
else:
data_list = [data for data in expt_data]
output.expect.append(data_list)
else:
# no averaging for single trajectory or if average_expect flag
# (Options) is off
if mc.expect_out is not None:
output.expect = mc.expect_out
# simulation parameters
output.times = config.tlist
output.num_expect = config.e_num
output.num_collapse = config.c_num
output.ntraj = config.ntraj
output.col_times = mc.collapse_times_out
output.col_which = mc.which_op_out
if e_ops_dict:
output.expect = {e: output.expect[n]
for n, e in enumerate(e_ops_dict.keys())}
return output
def _ssepdpsolve_generic(sso, options, progress_bar):
"""
For internal use. See ssepdpsolve.
"""
if debug:
logger.debug(inspect.stack()[0][3])
N_store = len(sso.times)
N_substeps = sso.nsubsteps
dt = (sso.times[1] - sso.times[0]) / N_substeps
nt = sso.ntraj
data = Result()
data.solver = "sepdpsolve"
data.times = sso.tlist
data.expect = np.zeros((len(sso.e_ops), N_store), dtype=complex)
data.ss = np.zeros((len(sso.e_ops), N_store), dtype=complex)
data.jump_times = []
data.jump_op_idx = []
# effective hamiltonian for deterministic part
Heff = sso.H
for c in sso.c_ops:
Heff += -0.5j * c.dag() * c
progress_bar.start(sso.ntraj)
for n in range(sso.ntraj):
progress_bar.update(n)
psi_t = sso.state0.full().ravel()
states_list, jump_times, jump_op_idx = \
_ssepdpsolve_single_trajectory(data, Heff, dt, sso.times,
N_store, N_substeps,
psi_t, sso.state0.dims,
sso.c_ops, sso.e_ops)
data.states.append(states_list)
data.jump_times.append(jump_times)
data.jump_op_idx.append(jump_op_idx)
progress_bar.finished()
# average density matrices
if options.average_states and np.any(data.states):
data.states = [
sum([data.states[m][n] for m in range(nt)]).unit()
for n in range(len(data.times))
]
# average
data.expect = data.expect / nt
# standard error
if nt > 1:
data.se = (data.ss - nt * (data.expect**2)) / (nt * (nt - 1))
else:
data.se = None
# convert complex data to real if hermitian
data.expect = [
np.real(data.expect[n, :]) if e.isherm else data.expect[n, :]
for n, e in enumerate(sso.e_ops)
]
return data
def _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar):
"""
Internal function for solving ME. Solve an ODE which solver parameters
already setup (r). Calculate the required expectation values or invoke
callback function at each time step.
"""
#
# prepare output array
#
n_tsteps = len(tlist)
e_sops_data = []
output = Result()
output.solver = "mesolve"
output.times = tlist
if opt.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
progress_bar.start(n_tsteps)
rho = Qobj(rho0)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
break
if opt.store_states or expt_callback:
rho.data = vec2mat(r.y)
if opt.store_states:
output.states.append(Qobj(rho))
if expt_callback:
# use callback method
e_ops(t, rho)
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][t_idx] = expect_rho_vec(e_sops_data[m], r.y, 0)
else:
output.expect[m][t_idx] = expect_rho_vec(e_sops_data[m], r.y, 1)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if not opt.rhs_reuse and config.tdname is not None:
try:
os.remove(config.tdname + ".pyx")
except:
pass
if opt.store_final_state:
rho.data = vec2mat(r.y)
output.final_state = Qobj(rho)
return output
def run(self, rho0, tlist):
"""
Function to solve for an open quantum system using the
HEOM model.
Parameters
----------
rho0 : Qobj
Initial state (density matrix) of the system.
tlist : list
Time over which system evolves.
Returns
-------
results : :class:`qutip.solver.Result`
Object storing all results from the simulation.
"""
start_run = timeit.default_timer()
sup_dim = self._sup_dim
stats = self.stats
r = self._ode
if not self._configured:
raise RuntimeError("Solver must be configured before it is run")
if stats:
ss_conf = stats.sections.get('config')
if ss_conf is None:
raise RuntimeError("No config section for solver stats")
ss_run = stats.sections.get('run')
if ss_run is None:
ss_run = stats.add_section('run')
# Set up terms of the matsubara and tanimura boundaries
output = Result()
output.solver = "hsolve"
output.times = tlist
output.states = []
if stats: start_init = timeit.default_timer()
output.states.append(Qobj(rho0))
rho0_flat = rho0.full().ravel('F') # Using 'F' effectively transposes
rho0_he = np.zeros([sup_dim*self._N_he], dtype=complex)
rho0_he[:sup_dim] = rho0_flat
r.set_initial_value(rho0_he, tlist[0])
if stats:
stats.add_timing('initialize',
timeit.default_timer() - start_init, ss_run)
start_integ = timeit.default_timer()
dt = np.diff(tlist)
n_tsteps = len(tlist)
for t_idx, t in enumerate(tlist):
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
rho = Qobj(r.y[:sup_dim].reshape(rho0.shape), dims=rho0.dims)
output.states.append(rho)
if stats:
time_now = timeit.default_timer()
stats.add_timing('integrate',
time_now - start_integ, ss_run)
if ss_run.total_time is None:
ss_run.total_time = time_now - start_run
else:
ss_run.total_time += time_now - start_run
stats.total_time = ss_conf.total_time + ss_run.total_time
return output
def floquet_markov_mesolve(R, ekets, rho0, tlist, e_ops, f_modes_table=None,
options=None, floquet_basis=True):
"""
Solve the dynamics for the system using the Floquet-Markov master equation.
"""
if options is None:
opt = Options()
else:
opt = options
if opt.tidy:
R.tidyup()
#
# check initial state
#
if isket(rho0):
# Got a wave function as initial state: convert to density matrix.
rho0 = ket2dm(rho0)
#
# prepare output array
#
n_tsteps = len(tlist)
dt = tlist[1] - tlist[0]
output = Result()
output.solver = "fmmesolve"
output.times = tlist
if isinstance(e_ops, FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
output.states = []
else:
if not f_modes_table:
raise TypeError("The Floquet mode table has to be provided " +
"when requesting expectation values.")
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# transform the initial density matrix to the eigenbasis: from
# computational basis to the floquet basis
#
if ekets is not None:
rho0 = rho0.transform(ekets)
#
# setup integrator
#
initial_vector = mat2vec(rho0.full())
r = scipy.integrate.ode(cy_ode_rhs)
r.set_f_params(R.data.data, R.data.indices, R.data.indptr)
r.set_integrator('zvode', method=opt.method, order=opt.order,
atol=opt.atol, rtol=opt.rtol, max_step=opt.max_step)
r.set_initial_value(initial_vector, tlist[0])
#
# start evolution
#
rho = Qobj(rho0)
t_idx = 0
for t in tlist:
if not r.successful():
break
rho.data = vec2mat(r.y)
if expt_callback:
# use callback method
if floquet_basis:
e_ops(t, Qobj(rho))
else:
f_modes_table_t, T = f_modes_table
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
e_ops(t, Qobj(rho).transform(f_modes_t, True))
else:
# calculate all the expectation values, or output rho if
# no operators
if n_expt_op == 0:
if floquet_basis:
output.states.append(Qobj(rho))
else:
f_modes_table_t, T = f_modes_table
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
output.states.append(Qobj(rho).transform(f_modes_t, True))
else:
f_modes_table_t, T = f_modes_table
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
for m in range(0, n_expt_op):
output.expect[m][t_idx] = \
expect(e_ops[m], rho.transform(f_modes_t, False))
r.integrate(r.t + dt)
t_idx += 1
return output
def floquet_markov_mesolve(
R,
rho0,
tlist,
e_ops,
options=None,
floquet_basis=True,
f_modes_0=None,
f_modes_table_t=None,
f_energies=None,
T=None,
):
"""
Solve the dynamics for the system using the Floquet-Markov master equation.
.. note::
It is important to understand in which frame and basis the results
are returned here.
Parameters
----------
R : array
The Floquet-Markov master equation tensor `R`.
rho0 : :class:`qutip.qobj`
Initial density matrix. If ``f_modes_0`` is not passed, this density
matrix is assumed to be in the Floquet picture.
tlist : *list* / *array*
list of times for :math:`t`.
e_ops : list of :class:`qutip.qobj` / callback function
list of operators for which to evaluate expectation values.
options : :class:`qutip.solver.Options`
options for the ODE solver.
floquet_basis: bool, True
If ``True``, states and expectation values will be returned in the
Floquet basis. If ``False``, a transformation will be made to the
computational basis; this will be in the lab frame if
``f_modes_table``, ``T` and ``f_energies`` are all supplied, or the
interaction picture (defined purely be f_modes_0) if they are not.
f_modes_0 : list of :class:`qutip.qobj` (kets), optional
A list of initial Floquet modes, used to transform the given starting
density matrix into the Floquet basis. If this is not passed, it is
assumed that ``rho`` is already in the Floquet basis.
f_modes_table_t : nested list of :class:`qutip.qobj` (kets), optional
A lookup-table of Floquet modes at times precalculated by
:func:`qutip.floquet.floquet_modes_table`. Necessary if
``floquet_basis`` is ``False`` and the transformation should be made
back to the lab frame.
f_energies : array_like of float, optional
The precalculated Floquet quasienergies. Necessary if
``floquet_basis`` is ``False`` and the transformation should be made
back to the lab frame.
T : float, optional
The time period of driving. Necessary if ``floquet_basis`` is
``False`` and the transformation should be made back to the lab frame.
Returns
-------
output : :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`, which
contains either an *array* of expectation values or an array of
state vectors, for the times specified by `tlist`.
"""
opt = options or Options()
if opt.tidy:
R.tidyup()
rho0 = rho0.proj() if rho0.isket else rho0
# Prepare output object.
dt = tlist[1] - tlist[0]
output = Result()
output.solver = "fmmesolve"
output.times = tlist
if isinstance(e_ops, FunctionType):
expt_callback = True
store_states = opt.store_states or False
else:
expt_callback = False
try:
e_ops = list(e_ops)
except TypeError:
raise TypeError("`e_ops` must be iterable or a function") from None
n_expt_op = len(e_ops)
if n_expt_op == 0:
store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
dtype = np.float64 if op.isherm else np.complex128
output.expect.append(np.zeros(len(tlist), dtype=dtype))
store_states = opt.store_states or (n_expt_op == 0)
if store_states:
output.states = []
# Choose which frame transformations should be done on the initial and
# evolved states.
lab_lookup = [f_modes_table_t, f_energies, T]
if (any(x is None for x in lab_lookup)
and not all(x is None for x in lab_lookup)):
warnings.warn(
"if transformation back to the computational basis in the lab"
"frame is desired, all of `f_modes_t`, `f_energies` and `T` must"
"be supplied.")
f_modes_table_t = f_energies = T = None
# Initial state.
if f_modes_0 is not None:
rho0 = rho0.transform(f_modes_0)
# Evolved states.
if floquet_basis:
def transform(rho, t):
return rho
elif f_modes_table_t is not None:
# Lab frame, computational basis.
def transform(rho, t):
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
f_states_t = floquet_states(f_modes_t, f_energies, t)
return rho.transform(f_states_t, True)
elif f_modes_0 is not None:
# Interaction picture, computational basis.
def transform(rho, t):
return rho.transform(f_modes_0, False)
else:
raise ValueError(
"cannot transform out of the Floquet basis without some knowledge "
"of the Floquet modes. Pass `f_modes_0`, or all of `f_modes_t`, "
"`f_energies` and `T`.")
# Setup integrator.
initial_vector = mat2vec(rho0.full())
r = scipy.integrate.ode(cy_ode_rhs)
r.set_f_params(R.data.data, R.data.indices, R.data.indptr)
r.set_integrator('zvode',
method=opt.method,
order=opt.order,
atol=opt.atol,
rtol=opt.rtol,
max_step=opt.max_step)
r.set_initial_value(initial_vector, tlist[0])
# Main evolution loop.
for t_idx, t in enumerate(tlist):
if not r.successful():
break
rho = transform(Qobj(vec2mat(r.y), rho0.dims, rho0.shape), t)
if expt_callback:
e_ops(t, rho)
else:
for m, e_op in enumerate(e_ops):
output.expect[m][t_idx] = expect(e_op, rho)
if store_states:
output.states.append(rho)
r.integrate(r.t + dt)
return output
def brmesolve(H,
psi0,
tlist,
a_ops=[],
e_ops=[],
c_ops=[],
args={},
use_secular=True,
tol=qset.atol,
spectra_cb=None,
options=None,
progress_bar=None,
_safe_mode=True):
"""
Solves for the dynamics of a system using the Bloch-Redfield master equation,
given an input Hamiltonian, Hermitian bath-coupling terms and their associated
spectrum functions, as well as possible Lindblad collapse operators.
For time-independent systems, the Hamiltonian must be given as a Qobj,
whereas the bath-coupling terms (a_ops), must be written as a nested list
of operator - spectrum function pairs, where the frequency is specified by
the `w` variable.
*Example*
a_ops = [[a+a.dag(),lambda w: 0.2*(w>=0)]]
For time-dependent systems, the Hamiltonian, a_ops, and Lindblad collapse
operators (c_ops), can be specified in the QuTiP string-based time-dependent
format. For the a_op spectra, the frequency variable must be `w`, and the
string cannot contain any other variables other than the possibility of having
a time-dependence through the time variable `t`:
*Example*
a_ops = [[a+a.dag(), '0.2*exp(-t)*(w>=0)']]
Parameters
----------
H : Qobj / list
System Hamiltonian given as a Qobj or
nested list in string-based format.
psi0: Qobj
Initial density matrix or state vector (ket).
tlist : array_like
List of times for evaluating evolution
a_ops : list
Nested list of Hermitian system operators that couple to
the bath degrees of freedom, along with their associated
spectra.
e_ops : list
List of operators for which to evaluate expectation values.
c_ops : list
List of system collapse operators, or nested list in
string-based format.
args : dict (not implimented)
Placeholder for future implementation, kept for API consistency.
use_secular : bool {True}
Use secular approximation when evaluating bath-coupling terms.
tol : float {qutip.setttings.atol}
Tolerance used for removing small values after
basis transformation.
spectra_cb : list
DEPRECIATED. Do not use.
options : :class:`qutip.solver.Options`
Options for the solver.
progress_bar : BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation.
Returns
-------
result: :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`, which contains
either an array of expectation values, for operators given in e_ops,
or a list of states for the times specified by `tlist`.
"""
if isinstance(c_ops, Qobj):
c_ops = [c_ops]
if isinstance(e_ops, Qobj):
e_ops = [e_ops]
if isinstance(e_ops, dict):
e_ops_dict = e_ops
e_ops = [e for e in e_ops.values()]
else:
e_ops_dict = None
if not (spectra_cb is None):
warnings.warn("The use of spectra_cb is depreciated.",
DeprecationWarning)
_a_ops = []
for kk, a in enumerate(a_ops):
_a_ops.append([a, spectra_cb[kk]])
a_ops = _a_ops
if _safe_mode:
_solver_safety_check(H, psi0, a_ops + c_ops, e_ops, args)
# check for type (if any) of time-dependent inputs
_, n_func, n_str = _td_format_check(H, a_ops + c_ops)
if progress_bar is None:
progress_bar = BaseProgressBar()
elif progress_bar is True:
progress_bar = TextProgressBar()
if options is None:
options = Options()
if (not options.rhs_reuse) or (not config.tdfunc):
# reset config collapse and time-dependence flags to default values
config.reset()
#check if should use OPENMP
check_use_openmp(options)
if n_str == 0:
R, ekets = bloch_redfield_tensor(H,
a_ops,
spectra_cb=None,
c_ops=c_ops)
output = Result()
output.solver = "brmesolve"
output.times = tlist
results = bloch_redfield_solve(R,
ekets,
psi0,
tlist,
e_ops,
options,
progress_bar=progress_bar)
if e_ops:
output.expect = results
else:
output.states = results
return output
elif n_str != 0 and n_func == 0:
output = _td_brmesolve(H,
psi0,
tlist,
a_ops=a_ops,
e_ops=e_ops,
c_ops=c_ops,
use_secular=use_secular,
tol=tol,
options=options,
progress_bar=progress_bar,
_safe_mode=_safe_mode)
return output
else:
raise Exception('Cannot mix func and str formats.')
def _generic_ode_solve(r, psi0, tlist, e_ops, opt, progress_bar, dims=None):
"""
Internal function for solving ODEs.
"""
if opt.normalize_output:
state_norm_func = norm
else:
state_norm_func = None
#
# prepare output array
#
n_tsteps = len(tlist)
output = Result()
output.solver = "sesolve"
output.times = tlist
if opt.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fallback on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
progress_bar.start(n_tsteps)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
raise Exception("ODE integration error: Try to increase "
"the allowed number of substeps by increasing "
"the nsteps parameter in the Options class.")
if state_norm_func:
data = r.y / state_norm_func(r.y)
r.set_initial_value(data, r.t)
if opt.store_states:
output.states.append(Qobj(r.y, dims=dims))
if expt_callback:
# use callback method
e_ops(t, Qobj(r.y, dims=psi0.dims))
for m in range(n_expt_op):
output.expect[m][t_idx] = cy_expect_psi(e_ops[m].data, r.y,
e_ops[m].isherm)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if not opt.rhs_reuse and config.tdname is not None:
try:
os.remove(config.tdname + ".pyx")
except:
pass
if opt.store_final_state:
output.final_state = Qobj(r.y, dims=dims)
return output
def mcsolve_f90(H, psi0, tlist, c_ops, e_ops, ntraj=None,
options=Options(), sparse_dms=True, serial=False,
ptrace_sel=[], calc_entropy=False):
"""
Monte-Carlo wave function solver with fortran 90 backend.
Usage is identical to qutip.mcsolve, for problems without explicit
time-dependence, and with some optional input:
Parameters
----------
H : qobj
System Hamiltonian.
psi0 : qobj
Initial state vector
tlist : array_like
Times at which results are recorded.
ntraj : int
Number of trajectories to run.
c_ops : array_like
``list`` or ``array`` of collapse operators.
e_ops : array_like
``list`` or ``array`` of operators for calculating expectation values.
options : Options
Instance of solver options.
sparse_dms : boolean
If averaged density matrices are returned, they will be stored as
sparse (Compressed Row Format) matrices during computation if
sparse_dms = True (default), and dense matrices otherwise. Dense
matrices might be preferable for smaller systems.
serial : boolean
If True (default is False) the solver will not make use of the
multiprocessing module, and simply run in serial.
ptrace_sel: list
This optional argument specifies a list of components to keep when
returning a partially traced density matrix. This can be convenient for
large systems where memory becomes a problem, but you are only
interested in parts of the density matrix.
calc_entropy : boolean
If ptrace_sel is specified, calc_entropy=True will have the solver
return the averaged entropy over trajectories in results.entropy. This
can be interpreted as a measure of entanglement. See Phys. Rev. Lett.
93, 120408 (2004), Phys. Rev. A 86, 022310 (2012).
Returns
-------
results : Result
Object storing all results from simulation.
"""
if ntraj is None:
ntraj = options.ntraj
if psi0.type != 'ket':
raise Exception("Initial state must be a state vector.")
config.options = options
# set num_cpus to the value given in qutip.settings
# if none in Options
if not config.options.num_cpus:
config.options.num_cpus = qutip.settings.num_cpus
# set initial value data
if options.tidy:
config.psi0 = psi0.tidyup(options.atol).full()
else:
config.psi0 = psi0.full()
config.psi0_dims = psi0.dims
config.psi0_shape = psi0.shape
# set general items
config.tlist = tlist
if isinstance(ntraj, (list, np.ndarray)):
raise Exception("ntraj as list argument is not supported.")
else:
config.ntraj = ntraj
# ntraj_list = [ntraj]
# set norm finding constants
config.norm_tol = options.norm_tol
config.norm_steps = options.norm_steps
if not options.rhs_reuse:
config.soft_reset()
# no time dependence
config.tflag = 0
# check for collapse operators
if len(c_ops) > 0:
config.cflag = 1
else:
config.cflag = 0
# Configure data
_mc_data_config(H, psi0, [], c_ops, [], [], e_ops, options, config)
# Load Monte Carlo class
mc = _MC_class()
# Set solver type
if (options.method == 'adams'):
mc.mf = 10
elif (options.method == 'bdf'):
mc.mf = 22
else:
if debug:
print('Unrecognized method for ode solver, using "adams".')
mc.mf = 10
# store ket and density matrix dims and shape for convenience
mc.psi0_dims = psi0.dims
mc.psi0_shape = psi0.shape
mc.dm_dims = (psi0 * psi0.dag()).dims
mc.dm_shape = (psi0 * psi0.dag()).shape
# use sparse density matrices during computation?
mc.sparse_dms = sparse_dms
# run in serial?
mc.serial_run = serial or (ntraj == 1)
# are we doing a partial trace for returned states?
mc.ptrace_sel = ptrace_sel
if (ptrace_sel != []):
if debug:
print("ptrace_sel set to " + str(ptrace_sel))
print("We are using dense density matrices during computation " +
"when performing partial trace. Setting sparse_dms = False")
print("This feature is experimental.")
mc.sparse_dms = False
mc.dm_dims = psi0.ptrace(ptrace_sel).dims
mc.dm_shape = psi0.ptrace(ptrace_sel).shape
if (calc_entropy):
if (ptrace_sel == []):
if debug:
print("calc_entropy = True, but ptrace_sel = []. Please set " +
"a list of components to keep when calculating average" +
" entropy of reduced density matrix in ptrace_sel. " +
"Setting calc_entropy = False.")
calc_entropy = False
mc.calc_entropy = calc_entropy
# construct output Result object
output = Result()
# Run
mc.run()
output.states = mc.sol.states
output.expect = mc.sol.expect
output.col_times = mc.sol.col_times
output.col_which = mc.sol.col_which
if (hasattr(mc.sol, 'entropy')):
output.entropy = mc.sol.entropy
output.solver = 'Fortran 90 Monte Carlo solver'
# simulation parameters
output.times = config.tlist
output.num_expect = config.e_num
output.num_collapse = config.c_num
output.ntraj = config.ntraj
return output
def run(self, rho0, tlist):
"""
Function to solve for an open quantum system using the
HEOM model.
Parameters
----------
rho0 : Qobj
Initial state (density matrix) of the system.
tlist : list
Time over which system evolves.
Returns
-------
results : :class:`qutip.solver.Result`
Object storing all results from the simulation.
"""
start_run = timeit.default_timer()
sup_dim = self._sup_dim
stats = self.stats
r = self._ode
if not self._configured:
raise RuntimeError("Solver must be configured before it is run")
if stats:
ss_conf = stats.sections.get('config')
if ss_conf is None:
raise RuntimeError("No config section for solver stats")
ss_run = stats.sections.get('run')
if ss_run is None:
ss_run = stats.add_section('run')
# Set up terms of the matsubara and tanimura boundaries
output = Result()
output.solver = "hsolve"
output.times = tlist
output.states = []
if stats: start_init = timeit.default_timer()
output.states.append(Qobj(rho0))
rho0_flat = rho0.full().ravel('F') # Using 'F' effectively transposes
rho0_he = np.zeros([sup_dim * self._N_he], dtype=complex)
rho0_he[:sup_dim] = rho0_flat
r.set_initial_value(rho0_he, tlist[0])
if stats:
stats.add_timing('initialize',
timeit.default_timer() - start_init, ss_run)
start_integ = timeit.default_timer()
dt = np.diff(tlist)
n_tsteps = len(tlist)
for t_idx, t in enumerate(tlist):
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
rho = Qobj(r.y[:sup_dim].reshape(rho0.shape), dims=rho0.dims)
output.states.append(rho)
if stats:
time_now = timeit.default_timer()
stats.add_timing('integrate', time_now - start_integ, ss_run)
if ss_run.total_time is None:
ss_run.total_time = time_now - start_run
else:
ss_run.total_time += time_now - start_run
stats.total_time = ss_conf.total_time + ss_run.total_time
return output
def floquet_markov_mesolve(R,
ekets,
rho0,
tlist,
e_ops,
f_modes_table=None,
options=None,
floquet_basis=True):
"""
Solve the dynamics for the system using the Floquet-Markov master equation.
"""
if options is None:
opt = Options()
else:
opt = options
if opt.tidy:
R.tidyup()
#
# check initial state
#
if isket(rho0):
# Got a wave function as initial state: convert to density matrix.
rho0 = ket2dm(rho0)
#
# prepare output array
#
n_tsteps = len(tlist)
dt = tlist[1] - tlist[0]
output = Result()
output.solver = "fmmesolve"
output.times = tlist
if isinstance(e_ops, FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
output.states = []
else:
if not f_modes_table:
raise TypeError("The Floquet mode table has to be provided " +
"when requesting expectation values.")
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
if op.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# transform the initial density matrix to the eigenbasis: from
# computational basis to the floquet basis
#
if ekets is not None:
rho0 = rho0.transform(ekets)
#
# setup integrator
#
initial_vector = mat2vec(rho0.full())
r = scipy.integrate.ode(cy_ode_rhs)
r.set_f_params(R.data.data, R.data.indices, R.data.indptr)
r.set_integrator('zvode',
method=opt.method,
order=opt.order,
atol=opt.atol,
rtol=opt.rtol,
max_step=opt.max_step)
r.set_initial_value(initial_vector, tlist[0])
#
# start evolution
#
rho = Qobj(rho0)
t_idx = 0
for t in tlist:
if not r.successful():
break
rho = Qobj(vec2mat(r.y), rho0.dims, rho0.shape)
if expt_callback:
# use callback method
if floquet_basis:
e_ops(t, Qobj(rho))
else:
f_modes_table_t, T = f_modes_table
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
e_ops(t, Qobj(rho).transform(f_modes_t, True))
else:
# calculate all the expectation values, or output rho if
# no operators
if n_expt_op == 0:
if floquet_basis:
output.states.append(Qobj(rho))
else:
f_modes_table_t, T = f_modes_table
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
output.states.append(Qobj(rho).transform(f_modes_t, True))
else:
f_modes_table_t, T = f_modes_table
f_modes_t = floquet_modes_t_lookup(f_modes_table_t, t, T)
for m in range(0, n_expt_op):
output.expect[m][t_idx] = \
expect(e_ops[m], rho.transform(f_modes_t, False))
r.integrate(r.t + dt)
t_idx += 1
return output
def propagate(self, tlist, *, propagator, rho0=None, e_ops=None):
"""Propagates the system of the objective over the entire time grid
Solve the dynamics for the `H` and `c_ops` of the objective. If `rho0`
is not given, the `initial_state` will be propagated. This is similar
to the :meth:`mesolve` method, but instead of using
:func:`qutip.mesolve.mesolve`, the `propagate` function is used to go
between points on the time grid. This function is the same as what is
passed to :func:`.optimize_pulses`. The crucial difference between this
and :meth:`mesolve` is in the time discretization convention. While
:meth:`mesolve` uses piecewise-constant controls centered around the
values in `tlist` (the control field switches in the middle between two
points in `tlist`), :meth:`propagate` uses piecewise-constant controls
on the intervals of `tlist` (the control field switches on the points
in `tlist`)
Comparing the result of :meth:`mesolve` and :meth:`propagate` allows to
estimate the "time discretization error". If the error is significant,
a shorter time step shoud be used.
Returns:
qutip.solver.Result: Result of the propagation, using the same
structure as :meth:`mesolve`.
"""
if e_ops is None:
e_ops = []
result = QutipSolverResult()
result.solver = propagator.__name__
result.times = copy.copy(tlist)
result.states = []
result.expect = []
result.num_expect = len(e_ops)
result.num_collapse = len(self.c_ops)
for _ in e_ops:
result.expect.append([])
state = rho0
if state is None:
state = self.initial_state
if len(e_ops) == 0:
result.states.append(state)
else:
for (i, oper) in enumerate(e_ops):
result.expect[i].append(qutip.expect(oper, state))
controls = extract_controls([self])
pulses_mapping = extract_controls_mapping([self], controls)
mapping = pulses_mapping[0] # "first objective" (dummy structure)
pulses = [ # defined on the tlist intervals
control_onto_interval(discretize(control, tlist))
for control in controls
]
for time_index in range(len(tlist) - 1): # index over intervals
H = plug_in_pulse_values(self.H, pulses, mapping[0], time_index)
c_ops = [
plug_in_pulse_values(c_op, pulses, mapping[ic + 1], time_index)
for (ic, c_op) in enumerate(self.c_ops)
]
dt = tlist[time_index + 1] - tlist[time_index]
state = propagator(H, state, dt, c_ops)
if len(e_ops) == 0:
result.states.append(state)
else:
for (i, oper) in enumerate(e_ops):
result.expect[i].append(qutip.expect(oper, state))
return result
def brmesolve(H,
psi0,
tlist,
a_ops,
e_ops=[],
spectra_cb=[],
c_ops=[],
args={},
options=Options()):
"""
Solve the dynamics for a system using the Bloch-Redfield master equation.
.. note::
This solver does not currently support time-dependent Hamiltonians.
Parameters
----------
H : :class:`qutip.Qobj`
System Hamiltonian.
rho0 / psi0: :class:`qutip.Qobj`
Initial density matrix or state vector (ket).
tlist : *list* / *array*
List of times for :math:`t`.
a_ops : list of :class:`qutip.qobj`
List of system operators that couple to bath degrees of freedom.
e_ops : list of :class:`qutip.qobj` / callback function
List of operators for which to evaluate expectation values.
c_ops : list of :class:`qutip.qobj`
List of system collapse operators.
args : *dictionary*
Placeholder for future implementation, kept for API consistency.
options : :class:`qutip.solver.Options`
Options for the solver.
Returns
-------
result: :class:`qutip.solver.Result`
An instance of the class :class:`qutip.solver.Result`, which contains
either an array of expectation values, for operators given in e_ops,
or a list of states for the times specified by `tlist`.
"""
if not spectra_cb:
# default to infinite temperature white noise
spectra_cb = [lambda w: 1.0 for _ in a_ops]
R, ekets = bloch_redfield_tensor(H, a_ops, spectra_cb, c_ops)
output = Result()
output.solver = "brmesolve"
output.times = tlist
results = bloch_redfield_solve(R, ekets, psi0, tlist, e_ops, options)
if e_ops:
output.expect = results
else:
output.states = results
return output
def _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar):
"""
Internal function for solving ME. Solve an ODE which solver parameters
already setup (r). Calculate the required expectation values or invoke
callback function at each time step.
"""
#
# prepare output array
#
n_tsteps = len(tlist)
e_sops_data = []
output = Result()
output.solver = "mesolve"
output.times = tlist
if opt.store_states:
output.states = []
if isinstance(e_ops, types.FunctionType):
n_expt_op = 0
expt_callback = True
elif isinstance(e_ops, list):
n_expt_op = len(e_ops)
expt_callback = False
if n_expt_op == 0:
# fall back on storing states
output.states = []
opt.store_states = True
else:
output.expect = []
output.num_expect = n_expt_op
for op in e_ops:
e_sops_data.append(spre(op).data)
if op.isherm and rho0.isherm:
output.expect.append(np.zeros(n_tsteps))
else:
output.expect.append(np.zeros(n_tsteps, dtype=complex))
else:
raise TypeError("Expectation parameter must be a list or a function")
#
# start evolution
#
progress_bar.start(n_tsteps)
rho = Qobj(rho0)
dt = np.diff(tlist)
for t_idx, t in enumerate(tlist):
progress_bar.update(t_idx)
if not r.successful():
break
if opt.store_states or expt_callback:
rho.data = vec2mat(r.y)
if opt.store_states:
output.states.append(Qobj(rho))
if expt_callback:
# use callback method
e_ops(t, rho)
for m in range(n_expt_op):
if output.expect[m].dtype == complex:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], r.y, 0)
else:
output.expect[m][t_idx] = expect_rho_vec(
e_sops_data[m], r.y, 1)
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
progress_bar.finished()
if not opt.rhs_reuse and config.tdname is not None:
try:
os.remove(config.tdname + ".pyx")
except:
pass
if opt.store_final_state:
rho.data = vec2mat(r.y)
output.final_state = Qobj(rho)
return output
