def smesolve_generic(H, rho0, tlist, c_ops, e_ops, rhs, d1, d2, ntraj, nsubsteps):
"""
internal
.. note::
Experimental.
"""
if debug:
print(inspect.stack()[0][3])
N_store = len(tlist)
N_substeps = nsubsteps
N = N_store * N_substeps
dt = (tlist[1] - tlist[0]) / N_substeps
print("N = %d. dt=%.2e" % (N, dt))
data = Odedata()
data.expect = np.zeros((len(e_ops), N_store), dtype=complex)
# pre-compute collapse operator combinations that are commonly needed
# when evaluating the RHS of stochastic master equations
A_ops = []
for c_idx, c in enumerate(c_ops):
# xxx: precompute useful operator expressions...
cdc = c.dag() * c
Ldt = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
LdW = spre(c) + spost(c.dag())
Lm = spre(c) + spost(c.dag()) # currently same as LdW
A_ops.append([Ldt.data, LdW.data, Lm.data])
# Liouvillian for the unitary part
L = -1.0j * (spre(H) - spost(H)) # XXX: should we split the ME in stochastic
# and deterministic collapse operators here?
progress_acc = 0.0
for n in range(ntraj):
if debug and (100 * float(n) / ntraj) >= progress_acc:
print("Progress: %.2f" % (100 * float(n) / ntraj))
progress_acc += 10.0
rho_t = mat2vec(rho0.full())
states_list = _smesolve_single_trajectory(
L, dt, tlist, N_store, N_substeps, rho_t, A_ops, e_ops, data, rhs, d1, d2
)
# if average -> average...
data.states.append(states_list)
# average
data.expect = data.expect / ntraj
return data
def smesolve_generic(H, rho0, tlist, c_ops, sc_ops, e_ops,
rhs, d1, d2, d2_len, ntraj, nsubsteps,
options, progress_bar):
"""
internal
.. note::
Experimental.
"""
if debug:
print(inspect.stack()[0][3])
N_store = len(tlist)
N_substeps = nsubsteps
N = N_store * N_substeps
dt = (tlist[1] - tlist[0]) / N_substeps
data = Odedata()
data.solver = "smesolve"
data.times = tlist
data.expect = np.zeros((len(e_ops), N_store), dtype=complex)
# pre-compute collapse operator combinations that are commonly needed
# when evaluating the RHS of stochastic master equations
A_ops = []
for c_idx, c in enumerate(sc_ops):
# xxx: precompute useful operator expressions...
cdc = c.dag() * c
Ldt = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
LdW = spre(c) + spost(c.dag())
Lm = spre(c) + spost(c.dag()) # currently same as LdW
A_ops.append([Ldt.data, LdW.data, Lm.data])
# Liouvillian for the deterministic part
L = liouvillian_fast(H, c_ops) # needs to be modified for TD systems
progress_bar.start(ntraj)
for n in range(ntraj):
progress_bar.update(n)
rho_t = mat2vec(rho0.full())
states_list = _smesolve_single_trajectory(
L, dt, tlist, N_store, N_substeps,
rho_t, A_ops, e_ops, data, rhs, d1, d2, d2_len)
# if average -> average...
data.states.append(states_list)
progress_bar.finished()
# average
data.expect = data.expect / ntraj
return data
def _generate_rho_A_ops(sc, L, dt):
"""
pre-compute superoperator operator combinations that are commonly needed
when evaluating the RHS of stochastic master equations
"""
out = []
for c_idx, c in enumerate(sc):
n = c.dag() * c
out.append([spre(c).data, spost(c).data,
spre(c.dag()).data, spost(c.dag()).data,
spre(n).data, spost(n).data, (spre(c) * spost(c.dag())).data,
lindblad_dissipator(c, data_only=True)])
return out
def qpt(U, op_basis_list):
"""
Calculate the quantum process tomography chi matrix for a given
(possibly nonunitary) transformation matrix U, which transforms a
density matrix in vector form according to:
vec(rho) = U * vec(rho0)
or
rho = vec2mat(U * mat2vec(rho0))
U can be calculated for an open quantum system using the QuTiP propagator
function.
"""
E_ops = []
# loop over all index permutations
for inds in index_permutations([len(op_list) for op_list in op_basis_list]):
# loop over all composite systems
E_op_list = [op_basis_list[k][inds[k]] for k in range(len(op_basis_list))]
E_ops.append(tensor(E_op_list))
EE_ops = [spre(E1) * spost(E2.dag()) for E1 in E_ops for E2 in E_ops]
M = hstack([mat2vec(EE.full()) for EE in EE_ops])
Uvec = mat2vec(U.full())
chi_vec = la.solve(M, Uvec)
return vec2mat(chi_vec)
def H2L_with_state(self, t, rho, args):
Ht = self.f(t, rho, args)
Lt = -1.0j * (spre(Ht) - spost(Ht))
_test_liouvillian_dimensions(Lt.dims, self.rho_dims)
Lt = Lt.data
for op in self.c_ops:
Lt += op(t).data
return Lt
def _generate_A_ops_Euler(sc, L, dt): """ combine precomputed operators in one long operator for the Euler method """ A_len = len(sc) out = [] out += [spre(c).data + spost(c.dag()).data for c in sc] out += [(L + np.sum([lindblad_dissipator(c, data_only=True) for c in sc], axis=0))*dt] out1 = [[sp.vstack(out).tocsr(), sc[0].shape[0]]] #the following hack is required for compatibility with old A_ops out1 += [[] for n in xrange(A_len-1)] return out1
def terminator(self, exponents):
""" Calculate the terminator for a Drude-Lorentz bath. """
Q = self.Q
lam = self.lam
gamma = self.gamma
beta = 1 / self.T
delta = 2 * lam / (beta * gamma) - 1j * lam
for exp in exponents:
if exp.type == BathExponent.types["R"]:
delta -= exp.ck / exp.vk
elif exp.type == BathExponent.types["RI"]:
delta -= (exp.ck + 1j * exp.ck2) / exp.vk
else:
delta -= 1j * exp.ck / exp.vk
op = -2 * spre(Q) * spost(Q.dag()) + spre(Q.dag() * Q) + spost(
Q.dag() * Q)
L_bnd = -delta * op
return delta, L_bnd
def qpt(U, op_basis_list):
"""
Calculate the quantum process tomography chi matrix for a given (possibly
nonunitary) transformation matrix U, which transforms a density matrix in
vector form according to:
vec(rho) = U * vec(rho0)
or
rho = vec2mat(U * mat2vec(rho0))
U can be calculated for an open quantum system using the QuTiP propagator
function.
Parameters
----------
U : Qobj
Transformation operator. Can be calculated using QuTiP propagator
function.
op_basis_list : list
A list of Qobj's representing the basis states.
Returns
-------
chi : array
QPT chi matrix
"""
E_ops = []
# loop over all index permutations
for inds in _index_permutations(
[len(op_list) for op_list in op_basis_list]):
# loop over all composite systems
E_op_list = [
op_basis_list[k][inds[k]] for k in range(len(op_basis_list))
]
E_ops.append(tensor(E_op_list))
EE_ops = [spre(E1) * spost(E2.dag()) for E1 in E_ops for E2 in E_ops]
M = hstack([mat2vec(EE.full()) for EE in EE_ops])
Uvec = mat2vec(U.full())
chi_vec = la.solve(M, Uvec)
return vec2mat(chi_vec)
def _generate_A_ops_Milstein(sc, L, dt): """ combine precomputed operators in one long operator for the Milstein method with commuting stochastic jump operators. """ A_len = len(sc) temp = [spre(c).data + spost(c.dag()).data for c in sc] out = [] out += temp out += [temp[n]*temp[n] for n in xrange(A_len)] out += [temp[n]*temp[m] for (n,m) in np.ndindex(A_len,A_len) if n > m] out += [(L + np.sum([lindblad_dissipator(c, data_only=True) for c in sc], axis=0))*dt] out1 = [[sp.vstack(out).tocsr(), sc[0].shape[0]]] #the following hack is required for compatibility with old A_ops out1 += [[] for n in xrange(A_len-1)] return out1
def to_super(q_oper):
"""
Converts a Qobj representing a quantum map to the supermatrix (Liouville)
representation.
Parameters
----------
q_oper : Qobj
Superoperator to be converted to supermatrix representation. If
``q_oper`` is ``type="oper"``, then it is taken to act by conjugation,
such that ``to_super(A) == sprepost(A, A.dag())``.
Returns
-------
superop : Qobj
A quantum object representing the same map as ``q_oper``, such that
``superop.superrep == "super"``.
Raises
------
TypeError
If the given quantum object is not a map, or cannot be converted
to supermatrix representation.
"""
if q_oper.type == 'super':
# Case 1: Already done.
if q_oper.superrep == "super":
return q_oper
# Case 2: Can directly convert.
elif q_oper.superrep == 'choi':
return choi_to_super(q_oper)
# Case 3: Need to go through Choi.
elif q_oper.superrep == 'chi':
return to_super(to_choi(q_oper))
# Case 4: Something went wrong.
else:
raise ValueError(
"Unrecognized superrep '{}'.".format(q_oper.superrep))
elif q_oper.type == 'oper': # Assume unitary
return spre(q_oper) * spost(q_oper.dag())
else:
raise TypeError(
"Conversion of Qobj with type = {0.type} "
"and superrep = {0.superrep} to supermatrix not "
"supported.".format(q_oper)
)
def to_super(q_oper):
"""
Converts a Qobj representing a quantum map to the supermatrix (Liouville)
representation.
Parameters
----------
q_oper : Qobj
Superoperator to be converted to supermatrix representation. If
``q_oper`` is ``type="oper"``, then it is taken to act by conjugation,
such that ``to_super(A) == sprepost(A, A.dag())``.
Returns
-------
superop : Qobj
A quantum object representing the same map as ``q_oper``, such that
``superop.superrep == "super"``.
Raises
------
TypeError
If the given quantum object is not a map, or cannot be converted
to supermatrix representation.
"""
if q_oper.type == 'super':
# Case 1: Already done.
if q_oper.superrep == "super":
return q_oper
# Case 2: Can directly convert.
elif q_oper.superrep == 'choi':
return choi_to_super(q_oper)
# Case 3: Need to go through Choi.
elif q_oper.superrep == 'chi':
return to_super(to_choi(q_oper))
# Case 4: Something went wrong.
else:
raise ValueError("Unrecognized superrep '{}'.".format(
q_oper.superrep))
elif q_oper.type == 'oper': # Assume unitary
return spre(q_oper) * spost(q_oper.dag())
else:
raise TypeError("Conversion of Qobj with type = {0.type} "
"and superrep = {0.superrep} to supermatrix not "
"supported.".format(q_oper))
def to_chi(q_oper):
"""
Converts a Qobj representing a quantum map to a representation as a chi
(process) matrix in the Pauli basis, such that the trace of the returned
operator is equal to the dimension of the system.
Parameters
----------
q_oper : Qobj
Superoperator to be converted to Chi representation. If
``q_oper`` is ``type="oper"``, then it is taken to act by conjugation,
such that ``to_chi(A) == to_chi(sprepost(A, A.dag()))``.
Returns
-------
chi : Qobj
A quantum object representing the same map as ``q_oper``, such that
``chi.superrep == "chi"``.
Raises
------
TypeError: if the given quantum object is not a map, or cannot be converted
to Chi representation.
"""
if q_oper.type == 'super':
# Case 1: Already done.
if q_oper.superrep == 'chi':
return q_oper
# Case 2: Can directly convert.
elif q_oper.superrep == 'choi':
return choi_to_chi(q_oper)
# Case 3: Need to go through Choi.
elif q_oper.superrep == 'super':
return to_chi(to_choi(q_oper))
else:
raise TypeError(q_oper.superrep)
elif q_oper.type == 'oper':
return to_chi(spre(q_oper) * spost(q_oper.dag()))
else:
raise TypeError(
"Conversion of Qobj with type = {0.type} "
"and superrep = {0.choi} to Choi not supported.".format(q_oper)
)
def test_SuperType():
"Qobj superoperator type"
psi = basis(2, 1)
rho = psi * psi.dag()
sop = spre(rho)
assert not sop.isket
assert not sop.isbra
assert not sop.isoper
assert sop.issuper
sop = spost(rho)
assert not sop.isket
assert not sop.isbra
assert not sop.isoper
assert sop.issuper
def test_SuperType():
"Qobj superoperator type"
psi = basis(2, 1)
rho = psi * psi.dag()
sop = spre(rho)
assert_equal(sop.isket, False)
assert_equal(sop.isbra, False)
assert_equal(sop.isoper, False)
assert_equal(sop.issuper, True)
sop = spost(rho)
assert_equal(sop.isket, False)
assert_equal(sop.isbra, False)
assert_equal(sop.isoper, False)
assert_equal(sop.issuper, True)
def test_SuperType():
"Qobj superoperator type"
psi = basis(2, 1)
rho = psi * psi.dag()
sop = spre(rho)
assert_equal(sop.isket, False)
assert_equal(sop.isbra, False)
assert_equal(sop.isoper, False)
assert_equal(sop.issuper, True)
sop = spost(rho)
assert_equal(sop.isket, False)
assert_equal(sop.isbra, False)
assert_equal(sop.isoper, False)
assert_equal(sop.issuper, True)
def to_chi(q_oper):
"""
Converts a Qobj representing a quantum map to a representation as a chi
(process) matrix in the Pauli basis, such that the trace of the returned
operator is equal to the dimension of the system.
Parameters
----------
q_oper : Qobj
Superoperator to be converted to Chi representation. If
``q_oper`` is ``type="oper"``, then it is taken to act by conjugation,
such that ``to_chi(A) == to_chi(sprepost(A, A.dag()))``.
Returns
-------
chi : Qobj
A quantum object representing the same map as ``q_oper``, such that
``chi.superrep == "chi"``.
Raises
------
TypeError: if the given quantum object is not a map, or cannot be converted
to Chi representation.
"""
if q_oper.type == 'super':
# Case 1: Already done.
if q_oper.superrep == 'chi':
return q_oper
# Case 2: Can directly convert.
elif q_oper.superrep == 'choi':
return choi_to_chi(q_oper)
# Case 3: Need to go through Choi.
elif q_oper.superrep == 'super':
return to_chi(to_choi(q_oper))
else:
raise TypeError(q_oper.superrep)
elif q_oper.type == 'oper':
return to_chi(spre(q_oper) * spost(q_oper.dag()))
else:
raise TypeError(
"Conversion of Qobj with type = {0.type} "
"and superrep = {0.choi} to Choi not supported.".format(q_oper))
def to_choi(q_oper):
"""
Converts a Qobj representing a quantum map to the Choi representation,
such that the trace of the returned operator is equal to the dimension
of the system.
Parameters
----------
q_oper : Qobj
Superoperator to be converted to Choi representation. If
``q_oper`` is ``type="oper"``, then it is taken to act by conjugation,
such that ``to_choi(A) == to_choi(sprepost(A, A.dag()))``.
Returns
-------
choi : Qobj
A quantum object representing the same map as ``q_oper``, such that
``choi.superrep == "choi"``.
Raises
------
TypeError: if the given quantum object is not a map, or cannot be converted
to Choi representation.
"""
if q_oper.type == 'super':
if q_oper.superrep == 'choi':
return q_oper
if q_oper.superrep == 'super':
return super_to_choi(q_oper)
if q_oper.superrep == 'chi':
return chi_to_choi(q_oper)
else:
raise TypeError(q_oper.superrep)
elif q_oper.type == 'oper':
return super_to_choi(spre(q_oper) * spost(q_oper.dag()))
else:
raise TypeError(
"Conversion of Qobj with type = {0.type} "
"and superrep = {0.choi} to Choi not supported.".format(q_oper)
)
def to_choi(q_oper):
"""
Converts a Qobj representing a quantum map to the Choi representation,
such that the trace of the returned operator is equal to the dimension
of the system.
Parameters
----------
q_oper : Qobj
Superoperator to be converted to Choi representation. If
``q_oper`` is ``type="oper"``, then it is taken to act by conjugation,
such that ``to_choi(A) == to_choi(sprepost(A, A.dag()))``.
Returns
-------
choi : Qobj
A quantum object representing the same map as ``q_oper``, such that
``choi.superrep == "choi"``.
Raises
------
TypeError: if the given quantum object is not a map, or cannot be converted
to Choi representation.
"""
if q_oper.type == 'super':
if q_oper.superrep == 'choi':
return q_oper
if q_oper.superrep == 'super':
return super_to_choi(q_oper)
if q_oper.superrep == 'chi':
return chi_to_choi(q_oper)
else:
raise TypeError(q_oper.superrep)
elif q_oper.type == 'oper':
return super_to_choi(spre(q_oper) * spost(q_oper.dag()))
else:
raise TypeError(
"Conversion of Qobj with type = {0.type} "
"and superrep = {0.choi} to Choi not supported.".format(q_oper))
def _mesolve_list_str_td(H_list, rho0, tlist, c_list, e_ops, args, opt,
progress_bar):
"""
Internal function for solving the master equation. See mesolve for usage.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state: must be a density matrix
#
if isket(rho0):
rho0 = rho0 * rho0.dag()
#
# construct liouvillian
#
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix representation to
for h_spec in H_list:
if isinstance(h_spec, Qobj):
h = h_spec
if isoper(h):
Lconst += -1j * (spre(h) - spost(h))
elif issuper(h):
Lconst += h
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected operator or " +
"superoperator)")
elif isinstance(h_spec, list):
h = h_spec[0]
h_coeff = h_spec[1]
if isoper(h):
L = -1j * (spre(h) - spost(h))
elif issuper(h):
L = h
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected operator or " +
"superoperator)")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(h_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected string format)")
# loop over all collapse operators
for c_spec in c_list:
if isinstance(c_spec, Qobj):
c = c_spec
if isoper(c):
cdc = c.dag() * c
Lconst += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
elif issuper(c):
Lconst += c
else:
raise TypeError("Incorrect specification of time-dependent " +
"Liouvillian (expected operator or " +
"superoperator)")
elif isinstance(c_spec, list):
c = c_spec[0]
c_coeff = c_spec[1]
if isoper(c):
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
c_coeff = "(" + c_coeff + ")**2"
elif issuper(c):
L = c
else:
raise TypeError("Incorrect specification of time-dependent " +
"Liouvillian (expected operator or " +
"superoperator)")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(c_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"collapse operators (expected string format)")
# add the constant part of the lagrangian
if Lconst != 0:
Ldata.append(Lconst.data.data)
Linds.append(Lconst.data.indices)
Lptrs.append(Lconst.data.indptr)
Lcoeff.append("1.0")
# the total number of liouvillian terms (hamiltonian terms +
# collapse operators)
n_L_terms = len(Ldata)
#
# setup ode args string: we expand the list Ldata, Linds and Lptrs into
# and explicit list of parameters
#
string_list = []
for k in range(n_L_terms):
string_list.append("Ldata[%d], Linds[%d], Lptrs[%d]" % (k, k, k))
for name, value in args.items():
string_list.append(str(value))
parameter_string = ",".join(string_list)
#
# generate and compile new cython code if necessary
#
if not opt.rhs_reuse or odeconfig.tdfunc is None:
if opt.rhs_filename is None:
odeconfig.tdname = "rhs" + str(odeconfig.cgen_num)
else:
odeconfig.tdname = opt.rhs_filename
cgen = Codegen(h_terms=n_L_terms,
h_tdterms=Lcoeff,
args=args,
odeconfig=odeconfig)
cgen.generate(odeconfig.tdname + ".pyx")
code = compile('from ' + odeconfig.tdname + ' import cyq_td_ode_rhs',
'<string>', 'exec')
exec(code, globals())
odeconfig.tdfunc = cyq_td_ode_rhs
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel()
r = scipy.integrate.ode(odeconfig.tdfunc)
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)
r.set_initial_value(initial_vector, tlist[0])
code = compile('r.set_f_params(' + parameter_string + ')', '<string>',
'exec')
exec(code)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def _mesolve_list_func_td(H_list, rho0, tlist, c_list, e_ops, args, opt,
progress_bar):
"""
Internal function for solving the master equation. See mesolve for usage.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
rho0 = rho0 * rho0.dag()
#
# construct liouvillian in list-function format
#
L_list = []
if opt.rhs_with_state:
constant_func = lambda x, y, z: 1.0
else:
constant_func = lambda x, y: 1.0
# add all hamitonian terms to the lagrangian list
for h_spec in H_list:
if isinstance(h_spec, Qobj):
h = h_spec
h_coeff = constant_func
elif isinstance(h_spec, list) and isinstance(h_spec[0], Qobj):
h = h_spec[0]
h_coeff = h_spec[1]
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected callback function)")
if isoper(h):
L_list.append([(-1j * (spre(h) - spost(h))).data, h_coeff, False])
elif issuper(h):
L_list.append([h.data, h_coeff, False])
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected operator or superoperator)")
# add all collapse operators to the lagrangian list
for c_spec in c_list:
if isinstance(c_spec, Qobj):
c = c_spec
c_coeff = constant_func
c_square = False
elif isinstance(c_spec, list) and isinstance(c_spec[0], Qobj):
c = c_spec[0]
c_coeff = c_spec[1]
c_square = True
else:
raise TypeError("Incorrect specification of time-dependent " +
"collapse operators (expected callback function)")
if isoper(c):
cdc = c.dag() * c
L_list.append([
liouvillian_fast(None, [c], data_only=True), c_coeff, c_square
])
elif issuper(c):
L_list.append([c.data, c_coeff, c_square])
else:
raise TypeError("Incorrect specification of time-dependent " +
"collapse operators (expected operator or " +
"superoperator)")
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel()
if opt.rhs_with_state:
r = scipy.integrate.ode(drho_list_td_with_state)
else:
r = scipy.integrate.ode(drho_list_td)
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)
r.set_initial_value(initial_vector, tlist[0])
r.set_f_params(L_list, args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def smesolve_generic(H, rho0, tlist, c_ops, e_ops,
rhs, d1, d2, ntraj, nsubsteps):
"""
internal
.. note::
Experimental.
"""
if debug:
print(inspect.stack()[0][3])
N_store = len(tlist)
N_substeps = nsubsteps
N = N_store * N_substeps
dt = (tlist[1] - tlist[0]) / N_substeps
print("N = %d. dt=%.2e" % (N, dt))
data = Odedata()
data.expect = np.zeros((len(e_ops), N_store), dtype=complex)
# pre-compute collapse operator combinations that are commonly needed
# when evaluating the RHS of stochastic master equations
A_ops = []
for c_idx, c in enumerate(c_ops):
# xxx: precompute useful operator expressions...
cdc = c.dag() * c
Ldt = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
LdW = spre(c) + spost(c.dag())
Lm = spre(c) + spost(c.dag()) # currently same as LdW
A_ops.append([Ldt.data, LdW.data, Lm.data])
# Liouvillian for the unitary part
L = -1.0j * (spre(H) - spost(H))
# XXX: should we split the ME in stochastic
# and deterministic collapse operators here?
progress_acc = 0.0
for n in range(ntraj):
if debug and (100 * float(n) / ntraj) >= progress_acc:
print("Progress: %.2f" % (100 * float(n) / ntraj))
progress_acc += 10.0
rho_t = mat2vec(rho0.full())
states_list = _smesolve_single_trajectory(
L, dt, tlist, N_store, N_substeps,
rho_t, A_ops, e_ops, data, rhs, d1, d2)
# if average -> average...
data.states.append(states_list)
# average
data.expect = data.expect / ntraj
return data
def rhs_generate(H,
c_ops,
args={},
options=Options(),
name=None,
cleanup=True):
"""
Generates the Cython functions needed for solving the dynamics of a
given system using the mesolve function inside a parfor loop.
Parameters
----------
H : qobj
System Hamiltonian.
c_ops : list
``list`` of collapse operators.
args : dict
Arguments for time-dependent Hamiltonian and collapse operator terms.
options : Options
Instance of ODE solver options.
name: str
Name of generated RHS
cleanup: bool
Whether the generated cython file should be automatically removed or
not.
Notes
-----
Using this function with any solver other than the mesolve function
will result in an error.
"""
config.reset()
config.options = options
if name:
config.tdname = name
else:
config.tdname = "rhs" + str(os.getpid()) + str(config.cgen_num)
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix represenation to
msg = "Incorrect specification of time-dependence: "
for h_spec in H:
if isinstance(h_spec, Qobj):
h = h_spec
if not isinstance(h, Qobj):
raise TypeError(msg + "expected Qobj")
if h.isoper:
Lconst += -1j * (spre(h) - spost(h))
elif h.issuper:
Lconst += h
else:
raise TypeError(msg + "expected operator or superoperator")
elif isinstance(h_spec, list):
h = h_spec[0]
h_coeff = h_spec[1]
if not isinstance(h, Qobj):
raise TypeError(msg + "expected Qobj")
if h.isoper:
L = -1j * (spre(h) - spost(h))
elif h.issuper:
L = h
else:
raise TypeError(msg + "expected operator or superoperator")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(h_coeff)
else:
raise TypeError(msg + "expected string format")
# loop over all collapse operators
for c_spec in c_ops:
if isinstance(c_spec, Qobj):
c = c_spec
if not isinstance(c, Qobj):
raise TypeError(msg + "expected Qobj")
if c.isoper:
cdc = c.dag() * c
Lconst += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
elif c.issuper:
Lconst += c
else:
raise TypeError(msg + "expected operator or superoperator")
elif isinstance(c_spec, list):
c = c_spec[0]
c_coeff = c_spec[1]
if not isinstance(c, Qobj):
raise TypeError(msg + "expected Qobj")
if c.isoper:
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
c_coeff = "(" + c_coeff + ")**2"
elif c.issuper:
L = c
else:
raise TypeError(msg + "expected operator or superoperator")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(c_coeff)
else:
raise TypeError(msg + "expected string format")
# add the constant part of the lagrangian
if Lconst != 0:
Ldata.append(Lconst.data.data)
Linds.append(Lconst.data.indices)
Lptrs.append(Lconst.data.indptr)
Lcoeff.append("1.0")
# the total number of liouvillian terms (hamiltonian terms + collapse
# operators)
n_L_terms = len(Ldata)
cgen = Codegen(h_terms=n_L_terms,
h_tdterms=Lcoeff,
args=args,
config=config)
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 cleanup:
try:
os.remove(config.tdname + ".pyx")
except:
pass
def rhs_generate(H,c_ops,args={},options=Odeoptions(),name=None):
"""
Generates the Cython functions needed for solving the dynamics of a
given system using the mesolve function inside a parfor loop.
Parameters
----------
H : qobj
System Hamiltonian.
c_ops : list
``list`` of collapse operators.
args : dict
Arguments for time-dependent Hamiltonian and collapse operator terms.
options : Odeoptions
Instance of ODE solver options.
name: str
Name of generated RHS
Notes
-----
Using this function with any solver other than the mesolve function
will result in an error.
"""
_reset_odeconfig() #clear odeconfig
if name:
odeconfig.tdname=name
else:
odeconfig.tdname="rhs"+str(odeconfig.cgen_num)
n_op = len(c_ops)
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix represenation to
for h_spec in H:
if isinstance(h_spec, Qobj):
h = h_spec
Lconst += -1j*(spre(h) - spost(h))
elif isinstance(h_spec, list):
h = h_spec[0]
h_coeff = h_spec[1]
L = -1j*(spre(h) - spost(h))
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(h_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected string format)")
# loop over all collapse operators
for c_spec in c_ops:
if isinstance(c_spec, Qobj):
c = c_spec
cdc = c.dag() * c
Lconst += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
elif isinstance(c_spec, list):
c = c_spec[0]
c_coeff = c_spec[1]
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append("("+c_coeff+")**2")
else:
raise TypeError("Incorrect specification of time-dependent " +
"collapse operators (expected string format)")
# add the constant part of the lagrangian
if Lconst != 0:
Ldata.append(Lconst.data.data)
Linds.append(Lconst.data.indices)
Lptrs.append(Lconst.data.indptr)
Lcoeff.append("1.0")
# the total number of liouvillian terms (hamiltonian terms + collapse operators)
n_L_terms = len(Ldata)
cgen=Codegen(h_terms=n_L_terms,h_tdterms=Lcoeff, args=args)
cgen.generate(odeconfig.tdname+".pyx")
os.environ['CFLAGS'] = '-O3 -w'
import pyximport
pyximport.install(setup_args={'include_dirs':[numpy.get_include()]})
code = compile('from '+odeconfig.tdname+' import cyq_td_ode_rhs', '<string>', 'exec')
exec(code)
odeconfig.tdfunc=cyq_td_ode_rhs
try:
os.remove(odeconfig.tdname+".pyx")
except:
pass
def _mesolve_list_str_td(H_list, rho0, tlist, c_list, e_ops, args, opt, progress_bar):
"""
Internal function for solving the master equation. See mesolve for usage.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state: must be a density matrix
#
if isket(rho0):
rho0 = rho0 * rho0.dag()
#
# construct liouvillian
#
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix representation to
for h_spec in H_list:
if isinstance(h_spec, Qobj):
h = h_spec
if isoper(h):
Lconst += -1j * (spre(h) - spost(h))
elif issuper(h):
Lconst += h
else:
raise TypeError(
"Incorrect specification of time-dependent "
+ "Hamiltonian (expected operator or "
+ "superoperator)"
)
elif isinstance(h_spec, list):
h = h_spec[0]
h_coeff = h_spec[1]
if isoper(h):
L = -1j * (spre(h) - spost(h))
elif issuper(h):
L = h
else:
raise TypeError(
"Incorrect specification of time-dependent "
+ "Hamiltonian (expected operator or "
+ "superoperator)"
)
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(h_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " + "Hamiltonian (expected string format)")
# loop over all collapse operators
for c_spec in c_list:
if isinstance(c_spec, Qobj):
c = c_spec
if isoper(c):
cdc = c.dag() * c
Lconst += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
elif issuper(c):
Lconst += c
else:
raise TypeError(
"Incorrect specification of time-dependent "
+ "Liouvillian (expected operator or "
+ "superoperator)"
)
elif isinstance(c_spec, list):
c = c_spec[0]
c_coeff = c_spec[1]
if isoper(c):
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
c_coeff = "(" + c_coeff + ")**2"
elif issuper(c):
L = c
else:
raise TypeError(
"Incorrect specification of time-dependent "
+ "Liouvillian (expected operator or "
+ "superoperator)"
)
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(c_coeff)
else:
raise TypeError(
"Incorrect specification of time-dependent " + "collapse operators (expected string format)"
)
# add the constant part of the lagrangian
if Lconst != 0:
Ldata.append(Lconst.data.data)
Linds.append(Lconst.data.indices)
Lptrs.append(Lconst.data.indptr)
Lcoeff.append("1.0")
# the total number of liouvillian terms (hamiltonian terms +
# collapse operators)
n_L_terms = len(Ldata)
#
# setup ode args string: we expand the list Ldata, Linds and Lptrs into
# and explicit list of parameters
#
string_list = []
for k in range(n_L_terms):
string_list.append("Ldata[%d], Linds[%d], Lptrs[%d]" % (k, k, k))
for name, value in args.items():
if isinstance(value, np.ndarray):
string_list.append(name)
else:
string_list.append(str(value))
parameter_string = ",".join(string_list)
#
# generate and compile new cython code if necessary
#
if not opt.rhs_reuse or config.tdfunc is None:
if opt.rhs_filename is None:
config.tdname = "rhs" + str(os.getpid()) + str(config.cgen_num)
else:
config.tdname = opt.rhs_filename
cgen = Codegen(h_terms=n_L_terms, h_tdterms=Lcoeff, args=args, config=config)
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
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel()
r = scipy.integrate.ode(config.tdfunc)
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,
)
r.set_initial_value(initial_vector, tlist[0])
code = compile("r.set_f_params(" + parameter_string + ")", "<string>", "exec")
exec(code, locals(), args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def _mesolve_list_str_td(H_list, rho0, tlist, c_list, e_ops, args, opt,
progress_bar):
"""
Internal function for solving the master equation. See mesolve for usage.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state: must be a density matrix
#
if isket(rho0):
rho0 = rho0 * rho0.dag()
#
# construct liouvillian
#
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
Lobj = []
me_cops_coeff = []
me_cops_obj = []
me_cops_obj_flags = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix representation to
n_not_const_terms = 0
for h_spec in H_list:
if isinstance(h_spec, Qobj):
h = h_spec
if isoper(h):
Lconst += -1j * (spre(h) - spost(h))
elif issuper(h):
Lconst += h
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected operator or " +
"superoperator)")
elif isinstance(h_spec, list):
n_not_const_terms +=1
h = h_spec[0]
h_coeff = h_spec[1]
if isoper(h):
L = -1j * (spre(h) - spost(h))
elif issuper(h):
L = h
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected operator or " +
"superoperator)")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
if isinstance(h_coeff, Cubic_Spline):
Lobj.append(h_coeff.coeffs)
Lcoeff.append(h_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected string format)")
# loop over all collapse operators
for c_spec in c_list:
if isinstance(c_spec, Qobj):
c = c_spec
if isoper(c):
cdc = c.dag() * c
Lconst += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
elif issuper(c):
Lconst += c
else:
raise TypeError("Incorrect specification of time-dependent " +
"Liouvillian (expected operator or " +
"superoperator)")
elif isinstance(c_spec, list):
n_not_const_terms +=1
c = c_spec[0]
c_coeff = c_spec[1]
if isoper(c):
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
if isinstance(c_coeff, Cubic_Spline):
me_cops_obj.append(c_coeff.coeffs)
me_cops_obj_flags.append(n_not_const_terms)
me_cops_coeff.append(c_coeff)
else:
c_coeff = "(" + c_coeff + ")**2"
Lcoeff.append(c_coeff)
elif issuper(c):
L = c
if isinstance(c_coeff, Cubic_Spline):
me_cops_obj.append(c_coeff.coeffs)
me_cops_obj_flags.append(-n_not_const_terms)
me_cops_coeff.append(c_coeff)
else:
Lcoeff.append(c_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"Liouvillian (expected operator or " +
"superoperator)")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
#Lcoeff.append(c_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"collapse operators (expected string format)")
#prepend the constant part of the liouvillian
if Lconst != 0:
Ldata = [Lconst.data.data]+Ldata
Linds = [Lconst.data.indices]+Linds
Lptrs = [Lconst.data.indptr]+Lptrs
Lcoeff = ["1.0"]+Lcoeff
else:
me_cops_obj_flags = [kk-1 for kk in me_cops_obj_flags]
# the total number of liouvillian terms (hamiltonian terms +
# collapse operators)
n_L_terms = len(Ldata)
n_td_cops = len(me_cops_obj)
# Check which components should use OPENMP
omp_components = None
if qset.has_openmp:
if opt.use_openmp:
omp_components = openmp_components(Lptrs)
#
# setup ode args string: we expand the list Ldata, Linds and Lptrs into
# and explicit list of parameters
#
string_list = []
for k in range(n_L_terms):
string_list.append("Ldata[%d], Linds[%d], Lptrs[%d]" % (k, k, k))
# Add H object terms to ode args string
for k in range(len(Lobj)):
string_list.append("Lobj[%d]" % k)
# Add cop object terms to end of ode args string
for k in range(len(me_cops_obj)):
string_list.append("me_cops_obj[%d]" % k)
for name, value in args.items():
if isinstance(value, np.ndarray):
string_list.append(name)
else:
string_list.append(str(value))
parameter_string = ",".join(string_list)
#
# generate and compile new cython code if necessary
#
if not opt.rhs_reuse or config.tdfunc is None:
if opt.rhs_filename is None:
config.tdname = "rhs" + str(os.getpid()) + str(config.cgen_num)
else:
config.tdname = opt.rhs_filename
cgen = Codegen(h_terms=len(Lcoeff), h_tdterms=Lcoeff,
c_td_splines=me_cops_coeff,
c_td_spline_flags=me_cops_obj_flags, args=args,
config=config, use_openmp=opt.use_openmp,
omp_components=omp_components,
omp_threads=opt.openmp_threads)
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
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel('F')
if issuper(rho0):
r = scipy.integrate.ode(_td_ode_rhs_super)
code = compile('r.set_f_params([' + parameter_string + '])',
'<string>', 'exec')
else:
r = scipy.integrate.ode(config.tdfunc)
code = compile('r.set_f_params(' + parameter_string + ')',
'<string>', 'exec')
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)
r.set_initial_value(initial_vector, tlist[0])
exec(code, locals(), args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def bloch_redfield_tensor(H, a_ops, spectra_cb, use_secular=True):
"""
Calculate the Bloch-Redfield tensor for a system given a set of operators
and corresponding spectral functions that describes the system's coupling
to its environment.
Parameters
----------
H : :class:`qutip.qobj`
System Hamiltonian.
a_ops : list of :class:`qutip.qobj`
List of system operators that couple to the environment.
spectra_cb : list of callback functions
List of callback functions that evaluate the noise power spectrum
at a given frequency.
use_secular : bool
Flag (True of False) that indicates if the secular approximation should
be used.
Returns
-------
R, kets: :class:`qutip.qobj`, list of :class:`qutip.qobj`
R is the Bloch-Redfield tensor and kets is a list eigenstates of the
Hamiltonian.
"""
# Sanity checks for input parameters
if not isinstance(H, Qobj):
raise TypeError("H must be an instance of Qobj")
for a in a_ops:
if not isinstance(a, Qobj) or not a.isherm:
raise TypeError("Operators in a_ops must be Hermitian Qobj.")
# default spectrum
if not spectra_cb:
spectra_cb = [lambda w: 1.0 for _ in a_ops]
# use the eigenbasis
evals, ekets = H.eigenstates()
N = len(evals)
K = len(a_ops)
A = np.zeros((K, N, N), dtype=complex) # TODO: use sparse here
W = np.zeros((N, N))
# pre-calculate matrix elements
for n in range(N):
for m in range(N):
W[m, n] = np.real(evals[m] - evals[n])
for k in range(K):
# A[k,n,m] = a_ops[k].matrix_element(ekets[n], ekets[m])
A[k, :, :] = a_ops[k].transform(ekets).full()
dw_min = abs(W[W.nonzero()]).min()
# unitary part
Heb = H.transform(ekets)
R = -1.0j * (spre(Heb) - spost(Heb))
R.data = R.data.tolil()
for I in range(N * N):
a, b = vec2mat_index(N, I)
for J in range(N * N):
c, d = vec2mat_index(N, J)
# unitary part: use spre and spost above, same as this:
# R.data[I,J] = -1j * W[a,b] * (a == c) * (b == d)
if use_secular is False or abs(W[a, b] - W[c, d]) < dw_min / 10.0:
# dissipative part:
for k in range(K):
# for each operator coupling the system to the environment
R.data[I, J] += ((A[k, a, c] * A[k, d, b] / 2) *
(spectra_cb[k](W[c, a]) +
spectra_cb[k](W[d, b])))
s1 = s2 = 0
for n in range(N):
s1 += A[k, a, n] * A[k, n, c] * spectra_cb[k](W[c, n])
s2 += A[k, d, n] * A[k, n, b] * spectra_cb[k](W[d, n])
R.data[I, J] += - (b == d) * s1 / 2 - (a == c) * s2 / 2
R.data = R.data.tocsr()
return R, ekets
def _mesolve_func_td(L_func, rho0, tlist, c_op_list, expt_ops, args, opt):
"""!
Evolve the density matrix using an ODE solver with time dependent
Hamiltonian.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
if len(c_op_list) > 0:
L = 0
for c in c_op_list:
cdc = c.dag() * c
L += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
L_func_and_args = [L_func, L.data]
else:
n, m = rho0.shape
L_func_and_args = [L_func, sp.lil_matrix((n**2, m**2)).tocsr()]
for arg in args:
if isinstance(arg, Qobj):
if isoper(arg):
L_func_and_args.append((-1j * (spre(arg) - spost(arg))).data)
else:
L_func_and_args.append(arg.data)
else:
L_func_and_args.append(arg)
#
# setup integrator
#
initial_vector = mat2vec(rho0.full())
r = scipy.integrate.ode(_ode_rho_func_td)
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)
r.set_initial_value(initial_vector, tlist[0])
r.set_f_params(L_func_and_args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, expt_ops, opt, vec2mat)
def configure(self,
H_sys,
coup_op,
coup_strength,
temperature,
N_cut,
N_exp,
cut_freq,
planck=None,
boltzmann=None,
renorm=None,
bnd_cut_approx=None,
options=None,
progress_bar=None,
stats=None):
"""
Calls configure from :class:`HEOMSolver` and sets any attributes
that are specific to this subclass
"""
start_config = timeit.default_timer()
HEOMSolver.configure(self,
H_sys,
coup_op,
coup_strength,
temperature,
N_cut,
N_exp,
planck=planck,
boltzmann=boltzmann,
options=options,
progress_bar=progress_bar,
stats=stats)
self.cut_freq = cut_freq
if renorm is not None: self.renorm = renorm
if bnd_cut_approx is not None: self.bnd_cut_approx = bnd_cut_approx
# Load local values for optional parameters
# Constants and Hamiltonian.
hbar = self.planck
options = self.options
progress_bar = self.progress_bar
stats = self.stats
if stats:
ss_conf = stats.sections.get('config')
if ss_conf is None:
ss_conf = stats.add_section('config')
c, nu = self._calc_matsubara_params()
if renorm:
norm_plus, norm_minus = self._calc_renorm_factors()
if stats:
stats.add_message('options', 'renormalisation', ss_conf)
# Dimensions et by system
sup_dim = H_sys.dims[0][0]**2
unit_sys = qeye(H_sys.dims[0])
# Use shorthands (mainly as in referenced PRL)
lam0 = self.coup_strength
gam = self.cut_freq
N_c = self.N_cut
N_m = self.N_exp
Q = coup_op # Q as shorthand for coupling operator
beta = 1.0 / (self.boltzmann * self.temperature)
# Ntot is the total number of ancillary elements in the hierarchy
# Ntot = factorial(N_c + N_m) / (factorial(N_c)*factorial(N_m))
# Turns out to be the same as nstates from state_number_enumerate
N_he, he2idx, idx2he = enr_state_dictionaries([N_c + 1] * N_m, N_c)
unit_helems = fast_identity(N_he)
if self.bnd_cut_approx:
# the Tanimura boundary cut off operator
if stats:
stats.add_message('options', 'boundary cutoff approx', ss_conf)
op = -2 * spre(Q) * spost(Q.dag()) + spre(Q.dag() * Q) + spost(
Q.dag() * Q)
approx_factr = ((2 * lam0 /
(beta * gam * hbar)) - 1j * lam0) / hbar
for k in range(N_m):
approx_factr -= (c[k] / nu[k])
L_bnd = -approx_factr * op.data
L_helems = zcsr_kron(unit_helems, L_bnd)
else:
L_helems = fast_csr_matrix(shape=(N_he * sup_dim, N_he * sup_dim))
# Build the hierarchy element interaction matrix
if stats: start_helem_constr = timeit.default_timer()
unit_sup = spre(unit_sys).data
spreQ = spre(Q).data
spostQ = spost(Q).data
commQ = (spre(Q) - spost(Q)).data
N_he_interact = 0
for he_idx in range(N_he):
he_state = list(idx2he[he_idx])
n_excite = sum(he_state)
# The diagonal elements for the hierarchy operator
# coeff for diagonal elements
sum_n_m_freq = 0.0
for k in range(N_m):
sum_n_m_freq += he_state[k] * nu[k]
op = -sum_n_m_freq * unit_sup
L_he = cy_pad_csr(op, N_he, N_he, he_idx, he_idx)
L_helems += L_he
# Add the neighour interations
he_state_neigh = copy(he_state)
for k in range(N_m):
n_k = he_state[k]
if n_k >= 1:
# find the hierarchy element index of the neighbour before
# this element, for this Matsubara term
he_state_neigh[k] = n_k - 1
he_idx_neigh = he2idx[tuple(he_state_neigh)]
op = c[k] * spreQ - np.conj(c[k]) * spostQ
if renorm:
op = -1j * norm_minus[n_k, k] * op
else:
op = -1j * n_k * op
L_he = cy_pad_csr(op, N_he, N_he, he_idx, he_idx_neigh)
L_helems += L_he
N_he_interact += 1
he_state_neigh[k] = n_k
if n_excite <= N_c - 1:
# find the hierarchy element index of the neighbour after
# this element, for this Matsubara term
he_state_neigh[k] = n_k + 1
he_idx_neigh = he2idx[tuple(he_state_neigh)]
op = commQ
if renorm:
op = -1j * norm_plus[n_k, k] * op
else:
op = -1j * op
L_he = cy_pad_csr(op, N_he, N_he, he_idx, he_idx_neigh)
L_helems += L_he
N_he_interact += 1
he_state_neigh[k] = n_k
if stats:
stats.add_timing('hierarchy contruct',
timeit.default_timer() - start_helem_constr,
ss_conf)
stats.add_count('Num hierarchy elements', N_he, ss_conf)
stats.add_count('Num he interactions', N_he_interact, ss_conf)
# Setup Liouvillian
if stats:
start_louvillian = timeit.default_timer()
H_he = zcsr_kron(unit_helems, liouvillian(H_sys).data)
L_helems += H_he
if stats:
stats.add_timing('Liouvillian contruct',
timeit.default_timer() - start_louvillian,
ss_conf)
if stats: start_integ_conf = timeit.default_timer()
r = scipy.integrate.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)
if stats:
time_now = timeit.default_timer()
stats.add_timing('Liouvillian contruct',
time_now - start_integ_conf, ss_conf)
if ss_conf.total_time is None:
ss_conf.total_time = time_now - start_config
else:
ss_conf.total_time += time_now - start_config
self._ode = r
self._N_he = N_he
self._sup_dim = sup_dim
self._configured = True
def smesolve_generic(ssdata, options, progress_bar):
"""
internal
.. note::
Experimental.
"""
if debug:
print(inspect.stack()[0][3])
N_store = len(ssdata.tlist)
N_substeps = ssdata.nsubsteps
N = N_store * N_substeps
dt = (ssdata.tlist[1] - ssdata.tlist[0]) / N_substeps
NT = ssdata.ntraj
data = Odedata()
data.solver = "smesolve"
data.times = ssdata.tlist
data.expect = np.zeros((len(ssdata.e_ops), N_store), dtype=complex)
data.ss = np.zeros((len(ssdata.e_ops), N_store), dtype=complex)
data.noise = []
data.measurement = []
# pre-compute suporoperator operator combinations that are commonly needed
# when evaluating the RHS of stochastic master equations
A_ops = []
for c_idx, c in enumerate(ssdata.sc_ops):
n = c.dag() * c
A_ops.append([spre(c).data, spost(c).data,
spre(c.dag()).data, spost(c.dag()).data,
spre(n).data, spost(n).data,
(spre(c) * spost(c.dag())).data,
lindblad_dissipator(c, data_only=True)])
s_e_ops = [spre(e) for e in ssdata.e_ops]
# Liouvillian for the deterministic part.
# needs to be modified for TD systems
L = liouvillian_fast(ssdata.H, ssdata.c_ops)
progress_bar.start(ssdata.ntraj)
for n in range(ssdata.ntraj):
progress_bar.update(n)
rho_t = mat2vec(ssdata.state0.full()).ravel()
noise = ssdata.noise[n] if ssdata.noise else None
states_list, dW, m = _smesolve_single_trajectory(
L, dt, ssdata.tlist, N_store, N_substeps,
rho_t, A_ops, s_e_ops, data, ssdata.rhs,
ssdata.d1, ssdata.d2, ssdata.d2_len, ssdata.homogeneous,
ssdata.distribution, ssdata.args,
store_measurement=ssdata.store_measurement,
store_states=ssdata.store_states, noise=noise)
data.states.append(states_list)
data.noise.append(dW)
data.measurement.append(m)
progress_bar.finished()
# average density matrices
if options.average_states and np.any(data.states):
data.states = [sum(state_list).unit() for state_list in data.states]
# 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(ssdata.e_ops)]
return data
def configure(self, H_sys, coup_op, coup_strength, temperature,
N_cut, N_exp, cut_freq, planck=None, boltzmann=None,
renorm=None, bnd_cut_approx=None,
options=None, progress_bar=None, stats=None):
"""
Calls configure from :class:`HEOMSolver` and sets any attributes
that are specific to this subclass
"""
start_config = timeit.default_timer()
HEOMSolver.configure(self, H_sys, coup_op, coup_strength,
temperature, N_cut, N_exp,
planck=planck, boltzmann=boltzmann,
options=options, progress_bar=progress_bar, stats=stats)
self.cut_freq = cut_freq
if renorm is not None: self.renorm = renorm
if bnd_cut_approx is not None: self.bnd_cut_approx = bnd_cut_approx
# Load local values for optional parameters
# Constants and Hamiltonian.
hbar = self.planck
options = self.options
progress_bar = self.progress_bar
stats = self.stats
if stats:
ss_conf = stats.sections.get('config')
if ss_conf is None:
ss_conf = stats.add_section('config')
c, nu = self._calc_matsubara_params()
if renorm:
norm_plus, norm_minus = self._calc_renorm_factors()
if stats:
stats.add_message('options', 'renormalisation', ss_conf)
# Dimensions et by system
sup_dim = H_sys.dims[0][0]**2
unit_sys = qeye(H_sys.dims[0])
# Use shorthands (mainly as in referenced PRL)
lam0 = self.coup_strength
gam = self.cut_freq
N_c = self.N_cut
N_m = self.N_exp
Q = coup_op # Q as shorthand for coupling operator
beta = 1.0/(self.boltzmann*self.temperature)
# Ntot is the total number of ancillary elements in the hierarchy
# Ntot = factorial(N_c + N_m) / (factorial(N_c)*factorial(N_m))
# Turns out to be the same as nstates from state_number_enumerate
N_he, he2idx, idx2he = enr_state_dictionaries([N_c + 1]*N_m , N_c)
unit_helems = sp.identity(N_he, format='csr')
if self.bnd_cut_approx:
# the Tanimura boundary cut off operator
if stats:
stats.add_message('options', 'boundary cutoff approx', ss_conf)
op = -2*spre(Q)*spost(Q.dag()) + spre(Q.dag()*Q) + spost(Q.dag()*Q)
approx_factr = ((2*lam0 / (beta*gam*hbar)) - 1j*lam0) / hbar
for k in range(N_m):
approx_factr -= (c[k] / nu[k])
L_bnd = -approx_factr*op.data
L_helems = sp.kron(unit_helems, L_bnd)
else:
L_helems = sp.csr_matrix((N_he*sup_dim, N_he*sup_dim),
dtype=complex)
# Build the hierarchy element interaction matrix
if stats: start_helem_constr = timeit.default_timer()
unit_sup = spre(unit_sys).data
spreQ = spre(Q).data
spostQ = spost(Q).data
commQ = (spre(Q) - spost(Q)).data
N_he_interact = 0
for he_idx in range(N_he):
he_state = list(idx2he[he_idx])
n_excite = sum(he_state)
# The diagonal elements for the hierarchy operator
# coeff for diagonal elements
sum_n_m_freq = 0.0
for k in range(N_m):
sum_n_m_freq += he_state[k]*nu[k]
op = -sum_n_m_freq*unit_sup
L_he = _pad_csr(op, N_he, N_he, he_idx, he_idx)
L_helems += L_he
# Add the neighour interations
he_state_neigh = copy(he_state)
for k in range(N_m):
n_k = he_state[k]
if n_k >= 1:
# find the hierarchy element index of the neighbour before
# this element, for this Matsubara term
he_state_neigh[k] = n_k - 1
he_idx_neigh = he2idx[tuple(he_state_neigh)]
op = c[k]*spreQ - np.conj(c[k])*spostQ
if renorm:
op = -1j*norm_minus[n_k, k]*op
else:
op = -1j*n_k*op
L_he = _pad_csr(op, N_he, N_he, he_idx, he_idx_neigh)
L_helems += L_he
N_he_interact += 1
he_state_neigh[k] = n_k
if n_excite <= N_c - 1:
# find the hierarchy element index of the neighbour after
# this element, for this Matsubara term
he_state_neigh[k] = n_k + 1
he_idx_neigh = he2idx[tuple(he_state_neigh)]
op = commQ
if renorm:
op = -1j*norm_plus[n_k, k]*op
else:
op = -1j*op
L_he = _pad_csr(op, N_he, N_he, he_idx, he_idx_neigh)
L_helems += L_he
N_he_interact += 1
he_state_neigh[k] = n_k
if stats:
stats.add_timing('hierarchy contruct',
timeit.default_timer() - start_helem_constr,
ss_conf)
stats.add_count('Num hierarchy elements', N_he, ss_conf)
stats.add_count('Num he interactions', N_he_interact, ss_conf)
# Setup Liouvillian
if stats: start_louvillian = timeit.default_timer()
H_he = sp.kron(unit_helems, liouvillian(H_sys).data)
L_helems += H_he
if stats:
stats.add_timing('Liouvillian contruct',
timeit.default_timer() - start_louvillian,
ss_conf)
if stats: start_integ_conf = timeit.default_timer()
r = scipy.integrate.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)
if stats:
time_now = timeit.default_timer()
stats.add_timing('Liouvillian contruct',
time_now - start_integ_conf,
ss_conf)
if ss_conf.total_time is None:
ss_conf.total_time = time_now - start_config
else:
ss_conf.total_time += time_now - start_config
self._ode = r
self._N_he = N_he
self._sup_dim = sup_dim
self._configured = True
def _mesolve_func_td(L_func, rho0, tlist, c_op_list, e_ops, args, opt,
progress_bar):
"""!
Evolve the density matrix using an ODE solver with time dependent
Hamiltonian.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
new_args = None
if len(c_op_list) > 0:
L_data = liouvillian_fast(None, c_op_list).data
else:
n, m = rho0.shape
L_data = sp.csr_matrix((n**2, m**2), dtype=complex)
if type(args) is dict:
new_args = {}
for key in args:
if isinstance(args[key], Qobj):
if isoper(args[key]):
new_args[key] = (-1j *
(spre(args[key]) - spost(args[key]))).data
else:
new_args[key] = args[key].data
else:
new_args[key] = args[key]
elif type(args) is list:
new_args = []
for arg in args:
if isinstance(arg, Qobj):
if isoper(arg):
new_args.append((-1j * (spre(arg) - spost(arg))).data)
else:
new_args.append(arg.data)
else:
new_args.append(arg)
else:
if isinstance(args, Qobj):
if isoper(args):
new_args = (-1j * (spre(args) - spost(args))).data
else:
new_args = args.data
else:
new_args = args
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel()
if not opt.rhs_with_state:
r = scipy.integrate.ode(cy_ode_rho_func_td)
else:
r = scipy.integrate.ode(_ode_rho_func_td_with_state)
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)
r.set_initial_value(initial_vector, tlist[0])
r.set_f_params(L_data, L_func, new_args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def smesolve_generic(ssdata, options, progress_bar):
"""
internal
.. note::
Experimental.
"""
if debug:
print(inspect.stack()[0][3])
N_store = len(ssdata.tlist)
N_substeps = ssdata.nsubsteps
N = N_store * N_substeps
dt = (ssdata.tlist[1] - ssdata.tlist[0]) / N_substeps
NT = ssdata.ntraj
data = Odedata()
data.solver = "smesolve"
data.times = ssdata.tlist
data.expect = np.zeros((len(ssdata.e_ops), N_store), dtype=complex)
data.ss = np.zeros((len(ssdata.e_ops), N_store), dtype=complex)
data.noise = []
data.measurement = []
# pre-compute suporoperator operator combinations that are commonly needed
# when evaluating the RHS of stochastic master equations
A_ops = []
for c_idx, c in enumerate(ssdata.sc_ops):
n = c.dag() * c
A_ops.append([spre(c).data, spost(c).data,
spre(c.dag()).data, spost(c.dag()).data,
spre(n).data, spost(n).data,
(spre(c) * spost(c.dag())).data,
lindblad_dissipator(c, data_only=True)])
s_e_ops = [spre(e) for e in ssdata.e_ops]
# Liouvillian for the deterministic part.
# needs to be modified for TD systems
L = liouvillian_fast(ssdata.H, ssdata.c_ops)
progress_bar.start(ssdata.ntraj)
for n in range(ssdata.ntraj):
progress_bar.update(n)
rho_t = mat2vec(ssdata.state0.full()).ravel()
noise = ssdata.noise[n] if ssdata.noise else None
states_list, dW, m = _smesolve_single_trajectory(
L, dt, ssdata.tlist, N_store, N_substeps,
rho_t, A_ops, s_e_ops, data, ssdata.rhs,
ssdata.d1, ssdata.d2, ssdata.d2_len, ssdata.homogeneous,
ssdata.distribution, ssdata.args,
store_measurement=ssdata.store_measurement,
store_states=ssdata.store_states, noise=noise)
data.states.append(states_list)
data.noise.append(dW)
data.measurement.append(m)
progress_bar.finished()
# average density matrices
if options.average_states and np.any(data.states):
data.states = [sum(state_list).unit() for state_list in data.states]
# 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(ssdata.e_ops)]
return data
def _mesolve_list_func_td(H_list, rho0, tlist, c_list, e_ops, args, opt, progress_bar):
"""
Internal function for solving the master equation. See mesolve for usage.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
rho0 = rho0 * rho0.dag()
#
# construct liouvillian in list-function format
#
L_list = []
if opt.rhs_with_state:
constant_func = lambda x, y, z: 1.0
else:
constant_func = lambda x, y: 1.0
# add all hamitonian terms to the lagrangian list
for h_spec in H_list:
if isinstance(h_spec, Qobj):
h = h_spec
h_coeff = constant_func
elif isinstance(h_spec, list) and isinstance(h_spec[0], Qobj):
h = h_spec[0]
h_coeff = h_spec[1]
else:
raise TypeError("Incorrect specification of time-dependent " + "Hamiltonian (expected callback function)")
if isoper(h):
L_list.append([(-1j * (spre(h) - spost(h))).data, h_coeff, False])
elif issuper(h):
L_list.append([h.data, h_coeff, False])
else:
raise TypeError(
"Incorrect specification of time-dependent " + "Hamiltonian (expected operator or superoperator)"
)
# add all collapse operators to the liouvillian list
for c_spec in c_list:
if isinstance(c_spec, Qobj):
c = c_spec
c_coeff = constant_func
c_square = False
elif isinstance(c_spec, list) and isinstance(c_spec[0], Qobj):
c = c_spec[0]
c_coeff = c_spec[1]
c_square = True
else:
raise TypeError(
"Incorrect specification of time-dependent " + "collapse operators (expected callback function)"
)
if isoper(c):
L_list.append([liouvillian(None, [c], data_only=True), c_coeff, c_square])
elif issuper(c):
L_list.append([c.data, c_coeff, c_square])
else:
raise TypeError(
"Incorrect specification of time-dependent "
+ "collapse operators (expected operator or "
+ "superoperator)"
)
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel()
if opt.rhs_with_state:
r = scipy.integrate.ode(drho_list_td_with_state)
else:
r = scipy.integrate.ode(drho_list_td)
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,
)
r.set_initial_value(initial_vector, tlist[0])
r.set_f_params(L_list, args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def rhs_generate(H, c_ops, args={}, options=Options(), name=None,
cleanup=True):
"""
Generates the Cython functions needed for solving the dynamics of a
given system using the mesolve function inside a parfor loop.
Parameters
----------
H : qobj
System Hamiltonian.
c_ops : list
``list`` of collapse operators.
args : dict
Arguments for time-dependent Hamiltonian and collapse operator terms.
options : Options
Instance of ODE solver options.
name: str
Name of generated RHS
cleanup: bool
Whether the generated cython file should be automatically removed or
not.
Notes
-----
Using this function with any solver other than the mesolve function
will result in an error.
"""
config.reset()
config.options = options
if name:
config.tdname = name
else:
config.tdname = "rhs" + str(os.getpid()) + str(config.cgen_num)
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix represenation to
msg = "Incorrect specification of time-dependence: "
for h_spec in H:
if isinstance(h_spec, Qobj):
h = h_spec
if not isinstance(h, Qobj):
raise TypeError(msg + "expected Qobj")
if h.isoper:
Lconst += -1j * (spre(h) - spost(h))
elif h.issuper:
Lconst += h
else:
raise TypeError(msg + "expected operator or superoperator")
elif isinstance(h_spec, list):
h = h_spec[0]
h_coeff = h_spec[1]
if not isinstance(h, Qobj):
raise TypeError(msg + "expected Qobj")
if h.isoper:
L = -1j * (spre(h) - spost(h))
elif h.issuper:
L = h
else:
raise TypeError(msg + "expected operator or superoperator")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(h_coeff)
else:
raise TypeError(msg + "expected string format")
# loop over all collapse operators
for c_spec in c_ops:
if isinstance(c_spec, Qobj):
c = c_spec
if not isinstance(c, Qobj):
raise TypeError(msg + "expected Qobj")
if c.isoper:
cdc = c.dag() * c
Lconst += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
elif c.issuper:
Lconst += c
else:
raise TypeError(msg + "expected operator or superoperator")
elif isinstance(c_spec, list):
c = c_spec[0]
c_coeff = c_spec[1]
if not isinstance(c, Qobj):
raise TypeError(msg + "expected Qobj")
if c.isoper:
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
c_coeff = "(" + c_coeff + ")**2"
elif c.issuper:
L = c
else:
raise TypeError(msg + "expected operator or superoperator")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(c_coeff)
else:
raise TypeError(msg + "expected string format")
# add the constant part of the lagrangian
if Lconst != 0:
Ldata.append(Lconst.data.data)
Linds.append(Lconst.data.indices)
Lptrs.append(Lconst.data.indptr)
Lcoeff.append("1.0")
# the total number of liouvillian terms (hamiltonian terms + collapse
# operators)
n_L_terms = len(Ldata)
cgen = Codegen(h_terms=n_L_terms, h_tdterms=Lcoeff, args=args,
config=config)
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 cleanup:
try:
os.remove(config.tdname + ".pyx")
except:
pass
def _mesolve_func_td(L_func, rho0, tlist, c_op_list, e_ops, args, opt, progress_bar):
"""
Evolve the density matrix using an ODE solver with time dependent
Hamiltonian.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
new_args = None
if len(c_op_list) > 0:
L_data = liouvillian(None, c_op_list).data
else:
n, m = rho0.shape
L_data = sp.csr_matrix((n ** 2, m ** 2), dtype=complex)
if type(args) is dict:
new_args = {}
for key in args:
if isinstance(args[key], Qobj):
if isoper(args[key]):
new_args[key] = (-1j * (spre(args[key]) - spost(args[key]))).data
else:
new_args[key] = args[key].data
else:
new_args[key] = args[key]
elif type(args) is list or type(args) is tuple:
new_args = []
for arg in args:
if isinstance(arg, Qobj):
if isoper(arg):
new_args.append((-1j * (spre(arg) - spost(arg))).data)
else:
new_args.append(arg.data)
else:
new_args.append(arg)
if type(args) is tuple:
new_args = tuple(new_args)
else:
if isinstance(args, Qobj):
if isoper(args):
new_args = (-1j * (spre(args) - spost(args))).data
else:
new_args = args.data
else:
new_args = args
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel()
if not opt.rhs_with_state:
r = scipy.integrate.ode(cy_ode_rho_func_td)
else:
r = scipy.integrate.ode(_ode_rho_func_td_with_state)
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,
)
r.set_initial_value(initial_vector, tlist[0])
r.set_f_params(L_data, L_func, new_args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def H2L_c(self, t, rho, args):
return -1.0j * (spre(self.f(t, args)) -
spost(self.f(t, args))).data + self.c_ops(t, args).data
def _mesolve_list_str_td(H_list, rho0, tlist, c_list, e_ops, args, opt,
progress_bar):
"""
Internal function for solving the master equation. See mesolve for usage.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state: must be a density matrix
#
if isket(rho0):
rho0 = rho0 * rho0.dag()
#
# construct liouvillian
#
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
Lobj = []
me_cops_coeff = []
me_cops_obj = []
me_cops_obj_flags = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix representation to
n_not_const_terms = 0
for h_spec in H_list:
if isinstance(h_spec, Qobj):
h = h_spec
if isoper(h):
Lconst += -1j * (spre(h) - spost(h))
elif issuper(h):
Lconst += h
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected operator or " +
"superoperator)")
elif isinstance(h_spec, list):
n_not_const_terms += 1
h = h_spec[0]
h_coeff = h_spec[1]
if isoper(h):
L = -1j * (spre(h) - spost(h))
elif issuper(h):
L = h
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected operator or " +
"superoperator)")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
if isinstance(h_coeff, Cubic_Spline):
Lobj.append(h_coeff.coeffs)
Lcoeff.append(h_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected string format)")
# loop over all collapse operators
for c_spec in c_list:
if isinstance(c_spec, Qobj):
c = c_spec
if isoper(c):
cdc = c.dag() * c
Lconst += spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
elif issuper(c):
Lconst += c
else:
raise TypeError("Incorrect specification of time-dependent " +
"Liouvillian (expected operator or " +
"superoperator)")
elif isinstance(c_spec, list):
n_not_const_terms += 1
c = c_spec[0]
c_coeff = c_spec[1]
if isoper(c):
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) \
- 0.5 * spost(cdc)
if isinstance(c_coeff, Cubic_Spline):
me_cops_obj.append(c_coeff.coeffs)
me_cops_obj_flags.append(n_not_const_terms)
me_cops_coeff.append(c_coeff)
else:
c_coeff = "(" + c_coeff + ")**2"
Lcoeff.append(c_coeff)
elif issuper(c):
L = c
if isinstance(c_coeff, Cubic_Spline):
me_cops_obj.append(c_coeff.coeffs)
me_cops_obj_flags.append(-n_not_const_terms)
me_cops_coeff.append(c_coeff)
else:
Lcoeff.append(c_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"Liouvillian (expected operator or " +
"superoperator)")
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
#Lcoeff.append(c_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"collapse operators (expected string format)")
#prepend the constant part of the liouvillian
if Lconst != 0:
Ldata = [Lconst.data.data] + Ldata
Linds = [Lconst.data.indices] + Linds
Lptrs = [Lconst.data.indptr] + Lptrs
Lcoeff = ["1.0"] + Lcoeff
else:
me_cops_obj_flags = [kk - 1 for kk in me_cops_obj_flags]
# the total number of liouvillian terms (hamiltonian terms +
# collapse operators)
n_L_terms = len(Ldata)
n_td_cops = len(me_cops_obj)
# Check which components should use OPENMP
omp_components = None
if qset.has_openmp:
if opt.use_openmp:
omp_components = openmp_components(Lptrs)
#
# setup ode args string: we expand the list Ldata, Linds and Lptrs into
# and explicit list of parameters
#
string_list = []
for k in range(n_L_terms):
string_list.append("Ldata[%d], Linds[%d], Lptrs[%d]" % (k, k, k))
# Add H object terms to ode args string
for k in range(len(Lobj)):
string_list.append("Lobj[%d]" % k)
# Add cop object terms to end of ode args string
for k in range(len(me_cops_obj)):
string_list.append("me_cops_obj[%d]" % k)
for name, value in args.items():
if isinstance(value, np.ndarray):
string_list.append(name)
else:
string_list.append(str(value))
parameter_string = ",".join(string_list)
#
# generate and compile new cython code if necessary
#
if not opt.rhs_reuse or config.tdfunc is None:
if opt.rhs_filename is None:
config.tdname = "rhs" + str(os.getpid()) + str(config.cgen_num)
else:
config.tdname = opt.rhs_filename
cgen = Codegen(h_terms=len(Lcoeff),
h_tdterms=Lcoeff,
c_td_splines=me_cops_coeff,
c_td_spline_flags=me_cops_obj_flags,
args=args,
config=config,
use_openmp=opt.use_openmp,
omp_components=omp_components,
omp_threads=opt.openmp_threads)
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
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel('F')
if issuper(rho0):
r = scipy.integrate.ode(_td_ode_rhs_super)
code = compile('r.set_f_params([' + parameter_string + '])',
'<string>', 'exec')
else:
r = scipy.integrate.ode(config.tdfunc)
code = compile('r.set_f_params(' + parameter_string + ')', '<string>',
'exec')
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)
r.set_initial_value(initial_vector, tlist[0])
exec(code, locals(), args)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def H2L_with_state(self, t, rho, args):
Ht = self.f(t, rho, args)
Lt = -1.0j * (spre(Ht) - spost(Ht)).data
for op in self.c_ops:
Lt += op(t).data
return Lt
def __init__(
self,
H_sys,
bath,
max_depth,
options=None,
progress_bar=None,
):
self.H_sys = self._convert_h_sys(H_sys)
self.options = Options() if options is None else options
self._is_timedep = isinstance(self.H_sys, QobjEvo)
self._H0 = self.H_sys.to_list()[0] if self._is_timedep else self.H_sys
self._is_hamiltonian = self._H0.type == "oper"
self._L0 = liouvillian(self._H0) if self._is_hamiltonian else self._H0
self._sys_shape = (self._H0.shape[0] if self._is_hamiltonian else int(
np.sqrt(self._H0.shape[0])))
self._sup_shape = self._L0.shape[0]
self._sys_dims = (self._H0.dims
if self._is_hamiltonian else self._H0.dims[0])
self.ados = HierarchyADOs(
self._combine_bath_exponents(bath),
max_depth,
)
self._n_ados = len(self.ados.labels)
self._n_exponents = len(self.ados.exponents)
# pre-calculate identity matrix required by _grad_n
self._sId = fast_identity(self._sup_shape)
# pre-calculate superoperators required by _grad_prev and _grad_next:
Qs = [exp.Q for exp in self.ados.exponents]
self._spreQ = [spre(op).data for op in Qs]
self._spostQ = [spost(op).data for op in Qs]
self._s_pre_minus_post_Q = [
self._spreQ[k] - self._spostQ[k] for k in range(self._n_exponents)
]
self._s_pre_plus_post_Q = [
self._spreQ[k] + self._spostQ[k] for k in range(self._n_exponents)
]
self._spreQdag = [spre(op.dag()).data for op in Qs]
self._spostQdag = [spost(op.dag()).data for op in Qs]
self._s_pre_minus_post_Qdag = [
self._spreQdag[k] - self._spostQdag[k]
for k in range(self._n_exponents)
]
self._s_pre_plus_post_Qdag = [
self._spreQdag[k] + self._spostQdag[k]
for k in range(self._n_exponents)
]
if progress_bar is None:
self.progress_bar = BaseProgressBar()
elif progress_bar is True:
self.progress_bar = TextProgressBar()
elif isinstance(progress_bar, BaseProgressBar):
self.progress_bar = progress_bar
else:
raise TypeError("progress_bar is not an instance of "
"qutip.ui.BaseProgressBar")
self._configure_solver()
def rhs_generate(H, c_ops, args={}, options=Odeoptions(), name=None):
"""
Generates the Cython functions needed for solving the dynamics of a
given system using the mesolve function inside a parfor loop.
Parameters
----------
H : qobj
System Hamiltonian.
c_ops : list
``list`` of collapse operators.
args : dict
Arguments for time-dependent Hamiltonian and collapse operator terms.
options : Odeoptions
Instance of ODE solver options.
name: str
Name of generated RHS
Notes
-----
Using this function with any solver other than the mesolve function
will result in an error.
"""
odeconfig.reset()
odeconfig.options = options
if name:
odeconfig.tdname = name
else:
odeconfig.tdname = "rhs" + str(odeconfig.cgen_num)
Lconst = 0
Ldata = []
Linds = []
Lptrs = []
Lcoeff = []
# loop over all hamiltonian terms, convert to superoperator form and
# add the data of sparse matrix represenation to
for h_spec in H:
if isinstance(h_spec, Qobj):
h = h_spec
Lconst += -1j * (spre(h) - spost(h))
elif isinstance(h_spec, list):
h = h_spec[0]
h_coeff = h_spec[1]
L = -1j * (spre(h) - spost(h))
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append(h_coeff)
else:
raise TypeError("Incorrect specification of time-dependent " +
"Hamiltonian (expected string format)")
# loop over all collapse operators
for c_spec in c_ops:
if isinstance(c_spec, Qobj):
c = c_spec
cdc = c.dag() * c
Lconst += spre(c) * spost(
c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
elif isinstance(c_spec, list):
c = c_spec[0]
c_coeff = c_spec[1]
cdc = c.dag() * c
L = spre(c) * spost(c.dag()) - 0.5 * spre(cdc) - 0.5 * spost(cdc)
Ldata.append(L.data.data)
Linds.append(L.data.indices)
Lptrs.append(L.data.indptr)
Lcoeff.append("(" + c_coeff + ")**2")
else:
raise TypeError("Incorrect specification of time-dependent " +
"collapse operators (expected string format)")
# add the constant part of the lagrangian
if Lconst != 0:
Ldata.append(Lconst.data.data)
Linds.append(Lconst.data.indices)
Lptrs.append(Lconst.data.indptr)
Lcoeff.append("1.0")
# the total number of liouvillian terms (hamiltonian terms + collapse
# operators)
n_L_terms = len(Ldata)
cgen = Codegen(h_terms=n_L_terms,
h_tdterms=Lcoeff,
args=args,
odeconfig=odeconfig)
cgen.generate(odeconfig.tdname + ".pyx")
code = compile('from ' + odeconfig.tdname + ' import cyq_td_ode_rhs',
'<string>', 'exec')
exec(code)
odeconfig.tdfunc = cyq_td_ode_rhs
try:
os.remove(odeconfig.tdname + ".pyx")
except:
pass