def test_ComplexSuperApply(self):
"""
Superoperator: Efficient numerics and reference return same result,
acting on non-composite system
"""
rho_list = list(map(rand_dm, [2, 3, 2, 3, 2]))
rho_input = tensor(rho_list)
superop = kraus_to_super(rand_kraus_map(3))
analytic_result = rho_list
analytic_result[1] = Qobj(vec2mat(superop.data.todense() *
mat2vec(analytic_result[1].data.todense())))
analytic_result[3] = Qobj(vec2mat(superop.data.todense() *
mat2vec(analytic_result[3].data.todense())))
analytic_result = tensor(analytic_result)
naive_result = subsystem_apply(rho_input, superop,
[False, True, False, True, False],
reference=True)
naive_diff = (analytic_result - naive_result).data.todense()
assert_(norm(naive_diff) < 1e-12)
efficient_result = subsystem_apply(rho_input, superop,
[False, True, False, True, False])
efficient_diff = (efficient_result - analytic_result).data.todense()
assert_(norm(efficient_diff) < 1e-12)
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 test_ComplexSuperApply(self):
"""
Superoperator: Efficient numerics and reference return same result,
acting on non-composite system
"""
tol = 1e-10
rho_list = list(map(rand_dm, [2, 3, 2, 3, 2]))
rho_input = tensor(rho_list)
superop = kraus_to_super(rand_kraus_map(3))
analytic_result = rho_list
analytic_result[1] = Qobj(
vec2mat(superop.full() @ mat2vec(analytic_result[1].full())))
analytic_result[3] = Qobj(
vec2mat(superop.full() @ mat2vec(analytic_result[3].full())))
analytic_result = tensor(analytic_result)
naive_result = subsystem_apply(rho_input,
superop,
[False, True, False, True, False],
reference=True)
naive_diff = (analytic_result - naive_result).full()
naive_diff_norm = norm(naive_diff)
assert_(naive_diff_norm < tol,
msg="ComplexSuper: naive_diff_norm {} "
"is beyond tolerance {}".format(naive_diff_norm, tol))
efficient_result = subsystem_apply(rho_input, superop,
[False, True, False, True, False])
efficient_diff = (efficient_result - analytic_result).full()
efficient_diff_norm = norm(efficient_diff)
assert_(efficient_diff_norm < tol,
msg="ComplexSuper: efficient_diff_norm {} "
"is beyond tolerance {}".format(efficient_diff_norm, tol))
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 test_ComplexSuperApply(self):
"""
Superoperator: Efficient numerics and reference return same result,
acting on non-composite system
"""
rho_list = list(map(rand_dm, [2, 3, 2, 3, 2]))
rho_input = tensor(rho_list)
superop = kraus_to_super(rand_kraus_map(3))
analytic_result = rho_list
analytic_result[1] = Qobj(
vec2mat(superop.data.todense() *
mat2vec(analytic_result[1].data.todense())))
analytic_result[3] = Qobj(
vec2mat(superop.data.todense() *
mat2vec(analytic_result[3].data.todense())))
analytic_result = tensor(analytic_result)
naive_result = subsystem_apply(rho_input,
superop,
[False, True, False, True, False],
reference=True)
naive_diff = (analytic_result - naive_result).data.todense()
assert_(norm(naive_diff) < 1e-12)
efficient_result = subsystem_apply(rho_input, superop,
[False, True, False, True, False])
efficient_diff = (efficient_result - analytic_result).data.todense()
assert_(norm(efficient_diff) < 1e-12)
def test_vec_to_eigbasis():
"BR Tools : vector to eigenbasis"
N = 10
for kk in range(50):
H = rand_herm(N,0.5)
h = H.full('F')
R = rand_dm(N,0.5)
r = mat2vec(R.full()).ravel()
ans = mat2vec(R.transform(H.eigenstates()[1]).full()).ravel()
out = _test_vec_to_eigbasis(h, r)
assert_(np.allclose(ans,out))
def test_vec_to_eigbasis():
"BR Tools : vector to eigenbasis"
N = 10
for kk in range(50):
H = rand_herm(N, 0.5)
h = H.full('F')
R = rand_dm(N, 0.5)
r = mat2vec(R.full()).ravel()
ans = mat2vec(R.transform(H.eigenstates()[1]).full()).ravel()
out = _test_vec_to_eigbasis(h, r)
assert_(np.allclose(ans, out))
def test_eigvec_to_fockbasis():
"BR Tools : eigvector to fockbasis"
N = 10
for kk in range(50):
H = rand_herm(N,0.5)
h = H.full('F')
R = rand_dm(N,0.5)
r = mat2vec(R.full()).ravel()
eigvals = np.zeros(N,dtype=float)
Z = _test_zheevr(H.full('F'), eigvals)
eig_vec = mat2vec(R.transform(H.eigenstates()[1]).full()).ravel()
out = _test_eigvec_to_fockbasis(eig_vec, Z, N)
assert_(np.allclose(r,out))
def test_eigvec_to_fockbasis():
"BR Tools : eigvector to fockbasis"
N = 10
for kk in range(50):
H = rand_herm(N, 0.5)
h = H.full('F')
R = rand_dm(N, 0.5)
r = mat2vec(R.full()).ravel()
eigvals = np.zeros(N, dtype=float)
Z = _test_zheevr(H.full('F'), eigvals)
eig_vec = mat2vec(R.transform(H.eigenstates()[1]).full()).ravel()
out = _test_eigvec_to_fockbasis(eig_vec, Z, N)
assert_(np.allclose(r, out))
def smepdpsolve_generic(ssdata, options, progress_bar):
"""
For internal use.
.. 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 = "smepdpsolve"
data.times = ssdata.tlist
data.expect = np.zeros((len(ssdata.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_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.rho0.full()).ravel()
states_list, jump_times, jump_op_idx = \
_smepdpsolve_single_trajectory(data, L, dt, ssdata.tlist,
N_store, N_substeps,
rho_t, ssdata.c_ops, ssdata.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(state_list).unit() for state_list in data.states]
# average
data.expect = data.expect / ssdata.ntraj
# standard error
if NT > 1:
data.se = (data.ss - NT * (data.expect ** 2)) / (NT * (NT - 1))
else:
data.se = None
return data
def _initialize_data(self, L, rho, dt, c_ops, backwards):
L_list = []
control_indices = []
if not (c_ops is None or len(c_ops) == 0):
# in principle, we could convert c_ops to a Lindbladian, here
raise NotImplementedError("c_ops not implemented")
for (i, spec) in enumerate(L):
if isinstance(spec, qutip.Qobj):
l_op = spec
l_coeff = 1
elif isinstance(spec, list) and isinstance(spec[0], qutip.Qobj):
l_op = spec[0]
l_coeff = spec[1]
control_indices.append(i)
else:
raise ValueError(
"Incorrect specification of time-dependent Liouvillian")
if l_op.type == 'super':
L_list.append([l_op.data, l_coeff, False])
else:
raise ValueError(
"Incorrect specification of time-dependent Liouvillian")
self._L_list = L_list
self._control_indices = control_indices
if rho.type == 'oper':
self._y = mat2vec(rho.full()).ravel('F') # initial state
else:
raise ValueError("rho must be a density matrix")
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 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 _mesolve_const(H, rho0, tlist, c_op_list, e_ops, args, opt,
progress_bar):
"""
Evolve the density matrix using an ODE solver, for constant hamiltonian
and collapse operators.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
# if initial state is a ket and no collapse operator where given,
# fall back on the unitary schrodinger equation solver
if len(c_op_list) == 0 and isoper(H):
return _sesolve_const(H, rho0, tlist, e_ops, args, opt,
progress_bar)
# Got a wave function as initial state: convert to density matrix.
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
if opt.tidy:
H = H.tidyup(opt.atol)
L = liouvillian(H, c_op_list)
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel('F')
if issuper(rho0):
r = scipy.integrate.ode(_ode_super_func)
r.set_f_params(L.data)
else:
if opt.use_openmp and L.data.nnz >= qset.openmp_thresh:
r = scipy.integrate.ode(cy_ode_rhs_openmp)
r.set_f_params(L.data.data, L.data.indices, L.data.indptr,
opt.openmp_threads)
else:
r = scipy.integrate.ode(cy_ode_rhs)
r.set_f_params(L.data.data, L.data.indices, L.data.indptr)
# r = scipy.integrate.ode(_ode_rho_test)
# r.set_f_params(L.data)
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])
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
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 _mesolve_const(H, rho0, tlist, c_op_list, e_ops, args, opt, progress_bar):
"""
Evolve the density matrix using an ODE solver, for constant hamiltonian
and collapse operators.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
# if initial state is a ket and no collapse operator where given,
# fall back on the unitary schrodinger equation solver
if len(c_op_list) == 0 and isoper(H):
return _sesolve_const(H, rho0, tlist, e_ops, args, opt,
progress_bar)
# Got a wave function as initial state: convert to density matrix.
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
if opt.tidy:
H = H.tidyup(opt.atol)
L = liouvillian(H, c_op_list)
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel('F')
if issuper(rho0):
r = scipy.integrate.ode(_ode_super_func)
r.set_f_params(L.data)
else:
r = scipy.integrate.ode(cy_ode_rhs)
r.set_f_params(L.data.data, L.data.indices, L.data.indptr)
# r = scipy.integrate.ode(_ode_rho_test)
# r.set_f_params(L.data)
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])
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
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 test_vector_roundtrip():
"BR Tools : vector roundtrip transform"
N = 10
for kk in range(50):
H = rand_herm(N, 0.5)
h = H.full('F')
R = rand_dm(N, 0.5)
r = mat2vec(R.full()).ravel()
out = _test_vector_roundtrip(h, r)
assert_(np.allclose(r, out))
def test_vector_roundtrip():
"BR Tools : vector roundtrip transform"
N = 10
for kk in range(50):
H = rand_herm(N,0.5)
h = H.full('F')
R = rand_dm(N,0.5)
r = mat2vec(R.full()).ravel()
out = _test_vector_roundtrip(h,r)
assert_(np.allclose(r,out))
def countstat_current(L, c_ops=None, rhoss=None, J_ops=None):
"""
Calculate the current corresponding a system Liouvillian `L` and a list of
current collapse operators `c_ops` or current superoperators `J_ops`
(either must be specified). Optionally the steadystate density matrix
`rhoss` and a list of current superoperators `J_ops` can be specified. If
either of these are omitted they are computed internally.
Parameters
----------
L : :class:`qutip.Qobj`
Qobj representing the system Liouvillian.
c_ops : array / list (optional)
List of current collapse operators.
rhoss : :class:`qutip.Qobj` (optional)
The steadystate density matrix corresponding the system Liouvillian
`L`.
J_ops : array / list (optional)
List of current superoperators.
Returns
--------
I : array
The currents `I` corresponding to each current collapse operator
`c_ops` (or, equivalently, each current superopeator `J_ops`).
"""
if J_ops is None:
if c_ops is None:
raise ValueError("c_ops must be given if J_ops is not")
J_ops = [sprepost(c, c.dag()) for c in c_ops]
if rhoss is None:
if c_ops is None:
raise ValueError("c_ops must be given if rhoss is not")
rhoss = steadystate(L, c_ops)
rhoss_vec = mat2vec(rhoss.full()).ravel()
N = len(J_ops)
I = np.zeros(N)
for i, Ji in enumerate(J_ops):
I[i] = expect_rho_vec(Ji.data, rhoss_vec, 1)
return I
def countstat_current(L, c_ops=None, rhoss=None, J_ops=None):
"""
Calculate the current corresponding a system Liouvillian `L` and a list of
current collapse operators `c_ops` or current superoperators `J_ops`
(either must be specified). Optionally the steadystate density matrix
`rhoss` and a list of current superoperators `J_ops` can be specified. If
either of these are omitted they are computed internally.
Parameters
----------
L : :class:`qutip.Qobj`
Qobj representing the system Liouvillian.
c_ops : array / list (optional)
List of current collapse operators.
rhoss : :class:`qutip.Qobj` (optional)
The steadystate density matrix corresponding the system Liouvillian
`L`.
J_ops : array / list (optional)
List of current superoperators.
Returns
--------
I : array
The currents `I` corresponding to each current collapse operator
`c_ops` (or, equivalently, each current superopeator `J_ops`).
"""
if J_ops is None:
if c_ops is None:
raise ValueError("c_ops must be given if J_ops is not")
J_ops = [sprepost(c, c.dag()) for c in c_ops]
if rhoss is None:
if c_ops is None:
raise ValueError("c_ops must be given if rhoss is not")
rhoss = steadystate(L, c_ops)
rhoss_vec = mat2vec(rhoss.full()).ravel()
N = len(J_ops)
I = np.zeros(N)
for i, Ji in enumerate(J_ops):
I[i] = expect_rho_vec(Ji.data, rhoss_vec, 1)
return I
def _spectrum_pi(H, wlist, c_ops, a_op, b_op, use_pinv=False):
"""
Internal function for calculating the spectrum of the correlation function
:math:`\left<A(\\tau)B(0)\\right>`.
"""
L = H if issuper(H) else liouvillian(H, c_ops)
tr_mat = tensor([qeye(n) for n in L.dims[0][0]])
N = np.prod(L.dims[0][0])
A = L.full()
b = spre(b_op).full()
a = spre(a_op).full()
tr_vec = np.transpose(mat2vec(tr_mat.full()))
rho_ss = steadystate(L)
rho = np.transpose(mat2vec(rho_ss.full()))
I = np.identity(N * N)
P = np.kron(np.transpose(rho), tr_vec)
Q = I - P
spectrum = np.zeros(len(wlist))
for idx, w in enumerate(wlist):
if use_pinv:
MMR = np.linalg.pinv(-1.0j * w * I + A)
else:
MMR = np.dot(Q, np.linalg.solve(-1.0j * w * I + A, Q))
s = np.dot(tr_vec,
np.dot(a, np.dot(MMR, np.dot(b, np.transpose(rho)))))
spectrum[idx] = -2 * np.real(s[0, 0])
return spectrum
def test_SimpleSuperApply(self):
"""
Non-composite system, operator on Liouville space.
"""
rho_3 = rand_dm(3)
superop = kraus_to_super(rand_kraus_map(3))
analytic_result = vec2mat(superop.data.todense() *
mat2vec(rho_3.data.todense()))
naive_result = subsystem_apply(rho_3, superop, [True], reference=True)
naive_diff = (analytic_result - naive_result).data.todense()
assert_(norm(naive_diff) < 1e-12)
efficient_result = subsystem_apply(rho_3, superop, [True])
efficient_diff = (efficient_result - analytic_result).data.todense()
assert_(norm(efficient_diff) < 1e-12)
def mesolve_const_checkpoint(H, rho0, tlist, c_op_list, e_ops, args, opt,
progress_bar, save, subdir):
"""
Evolve the density matrix using an ODE solver, for constant hamiltonian
and collapse operators.
"""
if debug:
print(inspect.stack()[0][3])
#
# check initial state
#
if isket(rho0):
# Got a wave function as initial state: convert to density matrix.
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
if opt.tidy:
H = H.tidyup(opt.atol)
L = liouvillian(H, c_op_list)
#
# setup integrator
#
initial_vector = mat2vec(rho0.full()).ravel()
r = scipy.integrate.ode(cy_ode_rhs)
r.set_f_params(L.data.data, L.data.indices, L.data.indptr)
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])
#
# call generic ODE code
#
return generic_ode_solve_checkpoint(r, rho0, tlist, e_ops, opt,
progress_bar, save, subdir)
def test_SimpleSuperApply(self):
"""
Non-composite system, operator on Liouville space.
"""
rho_3 = rand_dm(3)
superop = kraus_to_super(rand_kraus_map(3))
analytic_result = vec2mat(superop.data.todense() *
mat2vec(rho_3.data.todense()))
naive_result = subsystem_apply(rho_3, superop, [True],
reference=True)
naive_diff = (analytic_result - naive_result).data.todense()
assert_(norm(naive_diff) < 1e-12)
efficient_result = subsystem_apply(rho_3, superop, [True])
efficient_diff = (efficient_result - analytic_result).data.todense()
assert_(norm(efficient_diff) < 1e-12)
def propagation_multiple(self):
'''
This function will save all the propators during the evolution, which may be memory consuming.
'''
if len(self.Hamiltonian_derivative) < 2:
raise TypeError(
'this is a multiparameter scenario, the length of dH has to be larger than 1!'
)
num = len(self.times)
dim = self.freeHamiltonian.dims[0][0]
dt = self.times[1] - self.times[0]
dL = [
Qobj(liouvillian(self.Hamiltonian_derivative[i]).full())
for i in range(0, len(self.Hamiltonian_derivative))
]
D = [[[] for i in range(0, num + 1)] for k in range(0, num + 1)]
rhovec = [[] for i in range(0, num)]
drhovec = [[[] for k in range(0, len(self.Hamiltonian_derivative))]
for i in range(0, num)]
rhovec[0] = Qobj(mat2vec(self.rho_initial.full()))
for para_i in range(0, len(self.Hamiltonian_derivative)):
drhovec[0][para_i] = dt * dL[para_i] * rhovec[0]
D[0][0] = self.evolution(0)
D[1][0] = qeye(dim**2)
for di in range(1, num):
tnow = self.times[0] + dt * di
D[di + 1][di] = qeye(dim**2)
D[di][di] = self.evolution(tnow)
D[0][di] = D[di][di] * D[0][di - 1]
rhovec[di] = D[di][di] * rhovec[di - 1]
for para_i in range(0, len(self.Hamiltonian_derivative)):
drho_temp = dt * dL[para_i] * rhovec[di]
for dj in range(1, di):
D[di - dj][di] = D[di - dj + 1][di] * D[di - dj][di - dj]
drho_temp += dt * D[di - dj +
1][di] * dL[para_i] * rhovec[di - dj]
drhovec[di][para_i] = drho_temp
self.rho = rhovec
self.rho_derivative = drhovec
self.propagator = D
def test_SimpleSuperApply(self):
"""
Non-composite system, operator on Liouville space.
"""
tol = 1e-12
rho_3 = rand_dm(3)
superop = kraus_to_super(rand_kraus_map(3))
analytic_result = vec2mat(superop.full() @ mat2vec(rho_3.full()))
naive_result = subsystem_apply(rho_3, superop, [True], reference=True)
naive_diff = (analytic_result - naive_result).full()
naive_diff_norm = norm(naive_diff)
assert_(naive_diff_norm < tol,
msg="SimpleSuper: naive_diff_norm {} "
"is beyond tolerance {}".format(naive_diff_norm, tol))
efficient_result = subsystem_apply(rho_3, superop, [True])
efficient_diff = (efficient_result - analytic_result).full()
efficient_diff_norm = norm(efficient_diff)
assert_(efficient_diff_norm < tol,
msg="SimpleSuper: efficient_diff_norm {} "
"is beyond tolerance {}".format(efficient_diff_norm, tol))
def test_SimpleSuperApply(self):
"""
Non-composite system, operator on Liouville space.
"""
tol = 1e-12
rho_3 = rand_dm(3)
superop = kraus_to_super(rand_kraus_map(3))
analytic_result = vec2mat(superop.data.todense() * mat2vec(rho_3.data.todense()))
naive_result = subsystem_apply(rho_3, superop, [True], reference=True)
naive_diff = (analytic_result - naive_result).data.todense()
naive_diff_norm = norm(naive_diff)
assert_(
naive_diff_norm < tol,
msg="SimpleSuper: naive_diff_norm {} " "is beyond tolerance {}".format(naive_diff_norm, tol),
)
efficient_result = subsystem_apply(rho_3, superop, [True])
efficient_diff = (efficient_result - analytic_result).data.todense()
efficient_diff_norm = norm(efficient_diff)
assert_(
efficient_diff_norm < tol,
msg="SimpleSuper: efficient_diff_norm {} " "is beyond tolerance {}".format(efficient_diff_norm, tol),
)
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 propagator(H, t, c_op_list=[], args={}, options=None,
parallel=False, progress_bar=None, **kwargs):
"""
Calculate the propagator U(t) for the density matrix or wave function such
that :math:`\psi(t) = U(t)\psi(0)` or
:math:`\\rho_{\mathrm vec}(t) = U(t) \\rho_{\mathrm vec}(0)`
where :math:`\\rho_{\mathrm vec}` is the vector representation of the
density matrix.
Parameters
----------
H : qobj or list
Hamiltonian as a Qobj instance of a nested list of Qobjs and
coefficients in the list-string or list-function format for
time-dependent Hamiltonians (see description in :func:`qutip.mesolve`).
t : float or array-like
Time or list of times for which to evaluate the propagator.
c_op_list : list
List of qobj collapse operators.
args : list/array/dictionary
Parameters to callback functions for time-dependent Hamiltonians and
collapse operators.
options : :class:`qutip.Options`
with options for the ODE solver.
parallel : bool {False, True}
Run the propagator in parallel mode.
progress_bar: BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation. By default no progress bar
is used, and if set to True a TextProgressBar will be used.
Returns
-------
a : qobj
Instance representing the propagator :math:`U(t)`.
"""
kw = _default_kwargs()
if 'num_cpus' in kwargs:
num_cpus = kwargs['num_cpus']
else:
num_cpus = kw['num_cpus']
if progress_bar is None:
progress_bar = BaseProgressBar()
elif progress_bar is True:
progress_bar = TextProgressBar()
if options is None:
options = Options()
options.rhs_reuse = True
rhs_clear()
if isinstance(t, (int, float, np.integer, np.floating)):
tlist = [0, t]
else:
tlist = t
td_type = _td_format_check(H, c_op_list, solver='me')[2]
if td_type > 0:
rhs_generate(H, c_op_list, args=args, options=options)
if isinstance(H, (types.FunctionType, types.BuiltinFunctionType,
functools.partial)):
H0 = H(0.0, args)
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
else:
H0 = H
if len(c_op_list) == 0 and H0.isoper:
# calculate propagator for the wave function
N = H0.shape[0]
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
if parallel:
output = parallel_map(_parallel_sesolve,range(N),
task_args=(N,H,tlist,args,options),
progress_bar=progress_bar, num_cpus=num_cpus)
for n in range(N):
for k, t in enumerate(tlist):
u[:, n, k] = output[n].states[k].full().T
else:
progress_bar.start(N)
for n in range(0, N):
progress_bar.update(n)
psi0 = basis(N, n)
output = sesolve(H, psi0, tlist, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = output.states[k].full().T
progress_bar.finished()
# todo: evolving a batch of wave functions:
# psi_0_list = [basis(N, n) for n in range(N)]
# psi_t_list = mesolve(H, psi_0_list, [0, t], [], [], args, options)
# for n in range(0, N):
# u[:,n] = psi_t_list[n][1].full().T
elif len(c_op_list) == 0 and H0.issuper:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
N = H0.shape[0]
sqrt_N = int(np.sqrt(N))
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
if parallel:
output = parallel_map(_parallel_mesolve,range(N * N),
task_args=(sqrt_N,H,tlist,c_op_list,args,options),
progress_bar=progress_bar, num_cpus=num_cpus)
for n in range(N * N):
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output[n].states[k].full()).T
else:
progress_bar.start(N)
for n in range(0, N):
progress_bar.update(n)
col_idx, row_idx = np.unravel_index(n,(sqrt_N,sqrt_N))
rho0 = Qobj(sp.csr_matrix(([1],([row_idx],[col_idx])), shape=(sqrt_N,sqrt_N), dtype=complex))
output = mesolve(H, rho0, tlist, [], [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
progress_bar.finished()
else:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
N = H0.shape[0]
dims = [H0.dims, H0.dims]
u = np.zeros([N * N, N * N, len(tlist)], dtype=complex)
if parallel:
output = parallel_map(_parallel_mesolve,range(N * N),
task_args=(N,H,tlist,c_op_list,args,options),
progress_bar=progress_bar, num_cpus=num_cpus)
for n in range(N * N):
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output[n].states[k].full()).T
else:
progress_bar.start(N * N)
for n in range(N * N):
progress_bar.update(n)
col_idx, row_idx = np.unravel_index(n,(N,N))
rho0 = Qobj(sp.csr_matrix(([1],([row_idx],[col_idx])), shape=(N,N), dtype=complex))
output = mesolve(H, rho0, tlist, c_op_list, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
progress_bar.finished()
if len(tlist) == 2:
return Qobj(u[:, :, 1], dims=dims)
else:
return np.array([Qobj(u[:, :, k], dims=dims) for k in range(len(tlist))], dtype=object)
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 _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 _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 _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 ode2es(L, rho0):
"""Creates an exponential series that describes the time evolution for the
initial density matrix (or state vector) `rho0`, given the Liouvillian
(or Hamiltonian) `L`.
.. deprecated:: 4.6.0
:obj:`~ode2es` will be removed in QuTiP 5. Please use
:obj:`Qobj.eigenstates` to get the eigenstates and -values, and use
:obj:`~QobjEvo` for general time-dependence.
Parameters
----------
L : qobj
Liouvillian of the system.
rho0 : qobj
Initial state vector or density matrix.
Returns
-------
eseries : :class:`qutip.eseries`
``eseries`` represention of the system dynamics.
"""
if issuper(L):
# check initial state
if isket(rho0):
# Got a wave function as initial state: convert to density matrix.
rho0 = rho0 * rho0.dag()
# check if state is below error threshold
if abs(rho0.full()).sum() < 1e-10 + 1e-24:
# enforce zero operator
return eseries(qzero(rho0.dims[0]))
w, v = L.eigenstates()
v = np.hstack([ket.full() for ket in v])
# w[i] = eigenvalue i
# v[:,i] = eigenvector i
rlen = np.prod(rho0.shape)
r0 = mat2vec(rho0.full())
v0 = la.solve(v, r0)
vv = v * sp.spdiags(v0.T, 0, rlen, rlen)
out = None
for i in range(rlen):
qo = Qobj(vec2mat(vv[:, i]), dims=rho0.dims, shape=rho0.shape)
if out:
out += eseries(qo, w[i])
else:
out = eseries(qo, w[i])
elif isoper(L):
if not isket(rho0):
raise TypeError('Second argument must be a ket if first' +
'is a Hamiltonian.')
# check if state is below error threshold
if abs(rho0.full()).sum() < 1e-5 + 1e-20:
# enforce zero operator
dims = rho0.dims
return eseries(
Qobj(sp.csr_matrix((dims[0][0], dims[1][0]), dtype=complex)))
w, v = L.eigenstates()
v = np.hstack([ket.full() for ket in v])
# w[i] = eigenvalue i
# v[:,i] = eigenvector i
rlen = np.prod(rho0.shape)
r0 = rho0.full()
v0 = la.solve(v, r0)
vv = v * sp.spdiags(v0.T, 0, rlen, rlen)
out = None
for i in range(rlen):
qo = Qobj(np.array(vv[:, i]).T, dims=rho0.dims, shape=rho0.shape)
if out:
out += eseries(qo, -1.0j * w[i])
else:
out = eseries(qo, -1.0j * w[i])
else:
raise TypeError('First argument must be a Hamiltonian or Liouvillian.')
return estidy(out)
def propagator(H,
t,
c_op_list=[],
args={},
options=None,
unitary_mode='batch',
parallel=False,
progress_bar=None,
_safe_mode=True,
**kwargs):
r"""
Calculate the propagator U(t) for the density matrix or wave function such
that :math:`\psi(t) = U(t)\psi(0)` or
:math:`\rho_{\mathrm vec}(t) = U(t) \rho_{\mathrm vec}(0)`
where :math:`\rho_{\mathrm vec}` is the vector representation of the
density matrix.
Parameters
----------
H : qobj or list
Hamiltonian as a Qobj instance of a nested list of Qobjs and
coefficients in the list-string or list-function format for
time-dependent Hamiltonians (see description in :func:`qutip.mesolve`).
t : float or array-like
Time or list of times for which to evaluate the propagator.
c_op_list : list
List of qobj collapse operators.
args : list/array/dictionary
Parameters to callback functions for time-dependent Hamiltonians and
collapse operators.
options : :class:`qutip.Options`
with options for the ODE solver.
unitary_mode = str ('batch', 'single')
Solve all basis vectors simulaneously ('batch') or individually
('single').
parallel : bool {False, True}
Run the propagator in parallel mode. This will override the
unitary_mode settings if set to True.
progress_bar: BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation. By default no progress bar
is used, and if set to True a TextProgressBar will be used.
Returns
-------
a : qobj
Instance representing the propagator :math:`U(t)`.
"""
kw = _default_kwargs()
if 'num_cpus' in kwargs:
num_cpus = kwargs['num_cpus']
else:
num_cpus = kw['num_cpus']
if progress_bar is None:
progress_bar = BaseProgressBar()
elif progress_bar is True:
progress_bar = TextProgressBar()
if options is None:
options = Options()
options.rhs_reuse = True
rhs_clear()
if isinstance(t, (int, float, np.integer, np.floating)):
tlist = [0, t]
else:
tlist = t
if _safe_mode:
_solver_safety_check(H, None, c_ops=c_op_list, e_ops=[], args=args)
td_type = _td_format_check(H, c_op_list, solver='me')
if isinstance(
H,
(types.FunctionType, types.BuiltinFunctionType, functools.partial)):
H0 = H(0.0, args)
if unitary_mode == 'batch':
# batch don't work with function Hamiltonian
unitary_mode = 'single'
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
else:
H0 = H
if len(c_op_list) == 0 and H0.isoper:
# calculate propagator for the wave function
N = H0.shape[0]
dims = H0.dims
if parallel:
unitary_mode = 'single'
u = np.zeros([N, N, len(tlist)], dtype=complex)
output = parallel_map(_parallel_sesolve,
range(N),
task_args=(N, H, tlist, args, options),
progress_bar=progress_bar,
num_cpus=num_cpus)
for n in range(N):
for k, t in enumerate(tlist):
u[:, n, k] = output[n].states[k].full().T
else:
if unitary_mode == 'single':
output = sesolve(H,
qeye(dims[0]),
tlist, [],
args,
options,
_safe_mode=False)
if len(tlist) == 2:
return output.states[-1]
else:
return output.states
elif unitary_mode == 'batch':
u = np.zeros(len(tlist), dtype=object)
_rows = np.array([(N + 1) * m for m in range(N)])
_cols = np.zeros_like(_rows)
_data = np.ones_like(_rows, dtype=complex)
psi0 = Qobj(sp.coo_matrix((_data, (_rows, _cols))).tocsr())
if td_type[1] > 0 or td_type[2] > 0:
H2 = []
for k in range(len(H)):
if isinstance(H[k], list):
H2.append([tensor(qeye(N), H[k][0]), H[k][1]])
else:
H2.append(tensor(qeye(N), H[k]))
else:
H2 = tensor(qeye(N), H)
options.normalize_output = False
output = sesolve(H2,
psi0,
tlist, [],
args=args,
options=options,
_safe_mode=False)
for k, t in enumerate(tlist):
u[k] = sp_reshape(output.states[k].data, (N, N))
unit_row_norm(u[k].data, u[k].indptr, u[k].shape[0])
u[k] = u[k].T.tocsr()
else:
raise Exception('Invalid unitary mode.')
elif len(c_op_list) == 0 and H0.issuper:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
unitary_mode = 'single'
N = H0.shape[0]
sqrt_N = int(np.sqrt(N))
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
if parallel:
output = parallel_map(_parallel_mesolve,
range(N * N),
task_args=(sqrt_N, H, tlist, c_op_list, args,
options),
progress_bar=progress_bar,
num_cpus=num_cpus)
for n in range(N * N):
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output[n].states[k].full()).T
else:
rho0 = qeye(N, N)
rho0.dims = [[sqrt_N, sqrt_N], [sqrt_N, sqrt_N]]
output = mesolve(H,
psi0,
tlist, [],
args,
options,
_safe_mode=False)
if len(tlist) == 2:
return output.states[-1]
else:
return output.states
else:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
unitary_mode = 'single'
N = H0.shape[0]
dims = [H0.dims, H0.dims]
u = np.zeros([N * N, N * N, len(tlist)], dtype=complex)
if parallel:
output = parallel_map(_parallel_mesolve,
range(N * N),
task_args=(N, H, tlist, c_op_list, args,
options),
progress_bar=progress_bar,
num_cpus=num_cpus)
for n in range(N * N):
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output[n].states[k].full()).T
else:
progress_bar.start(N * N)
for n in range(N * N):
progress_bar.update(n)
col_idx, row_idx = np.unravel_index(n, (N, N))
rho0 = Qobj(
sp.csr_matrix(([1], ([row_idx], [col_idx])),
shape=(N, N),
dtype=complex))
output = mesolve(H,
rho0,
tlist,
c_op_list, [],
args,
options,
_safe_mode=False)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
progress_bar.finished()
if len(tlist) == 2:
if unitary_mode == 'batch':
return Qobj(u[-1], dims=dims)
else:
return Qobj(u[:, :, 1], dims=dims)
else:
if unitary_mode == 'batch':
return np.array([Qobj(u[k], dims=dims) for k in range(len(tlist))],
dtype=object)
else:
return np.array(
[Qobj(u[:, :, k], dims=dims) for k in range(len(tlist))],
dtype=object)
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 _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 ode2es(L, rho0):
"""Creates an exponential series that describes the time evolution for the
initial density matrix (or state vector) `rho0`, given the Liouvillian
(or Hamiltonian) `L`.
Parameters
----------
L : qobj
Liouvillian of the system.
rho0 : qobj
Initial state vector or density matrix.
Returns
-------
eseries : :class:`qutip.eseries`
``eseries`` represention of the system dynamics.
"""
if issuper(L):
# check initial state
if isket(rho0):
# Got a wave function as initial state: convert to density matrix.
rho0 = rho0 * rho0.dag()
w, v = L.eigenstates()
v = np.hstack([ket.full() for ket in v])
# w[i] = eigenvalue i
# v[:,i] = eigenvector i
rlen = np.prod(rho0.shape)
r0 = mat2vec(rho0.full())
v0 = la.solve(v, r0)
vv = v * sp.spdiags(v0.T, 0, rlen, rlen)
out = None
for i in range(rlen):
qo = Qobj(vec2mat(vv[:, i]), dims=rho0.dims, shape=rho0.shape)
if out:
out += eseries(qo, w[i])
else:
out = eseries(qo, w[i])
elif isoper(L):
if not isket(rho0):
raise TypeError("Second argument must be a ket if first" + "is a Hamiltonian.")
w, v = L.eigenstates()
v = np.hstack([ket.full() for ket in v])
# w[i] = eigenvalue i
# v[:,i] = eigenvector i
rlen = np.prod(rho0.shape)
r0 = rho0.full()
v0 = la.solve(v, r0)
vv = v * sp.spdiags(v0.T, 0, rlen, rlen)
out = None
for i in range(rlen):
qo = Qobj(np.matrix(vv[:, i]).T, dims=rho0.dims, shape=rho0.shape)
if out:
out += eseries(qo, -1.0j * w[i])
else:
out = eseries(qo, -1.0j * w[i])
else:
raise TypeError("First argument must be a Hamiltonian or Liouvillian.")
return estidy(out)
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_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_td(H_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):
# if initial state is a ket and no collapse operator where given,
# fall back on the unitary schrodinger equation solver
if len(c_op_list) == 0:
return _sesolve_list_td(H_func, rho0, tlist, e_ops, args, opt)
# Got a wave function as initial state: convert to density matrix.
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
if len(H_func) != 2:
raise TypeError('Time-dependent Hamiltonian list must have two terms.')
if not isinstance(H_func[0], (list, np.ndarray)) or len(H_func[0]) <= 1:
raise TypeError('Time-dependent Hamiltonians must be a list ' +
'with two or more terms')
if (not isinstance(H_func[1], (list, np.ndarray))) or \
(len(H_func[1]) != (len(H_func[0]) - 1)):
raise TypeError('Time-dependent coefficients must be list with ' +
'length N-1 where N is the number of ' +
'Hamiltonian terms.')
if opt.rhs_reuse and odeconfig.tdfunc is None:
rhs_generate(H_func, args)
lenh = len(H_func[0])
if opt.tidy:
H_func[0] = [(H_func[0][k]).tidyup() for k in range(lenh)]
L_func = [[liouvillian_fast(H_func[0][0], c_op_list)], H_func[1]]
for m in range(1, lenh):
L_func[0].append(liouvillian_fast(H_func[0][m], []))
# create data arrays for time-dependent RHS function
Ldata = [L_func[0][k].data.data for k in range(lenh)]
Linds = [L_func[0][k].data.indices for k in range(lenh)]
Lptrs = [L_func[0][k].data.indptr for k in range(lenh)]
# setup ode args string
string = ""
for k in range(lenh):
string += ("Ldata[%d], Linds[%d], Lptrs[%d]," % (k, k, k))
if args:
td_consts = args.items()
for elem in td_consts:
string += str(elem[1])
if elem != td_consts[-1]:
string += (",")
# run code generator
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(' + string + ')', '<string>', 'exec')
exec(code)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def countstat_current_noise(L, c_ops, wlist=None, rhoss=None, J_ops=None,
sparse=True, method='direct'):
"""
Compute the cross-current noise spectrum for a list of collapse operators
`c_ops` corresponding to monitored currents, given the system
Liouvillian `L`. The current collapse operators `c_ops` should be part
of the dissipative processes in `L`, but the `c_ops` given here does not
necessarily need to be all collapse operators contributing to dissipation
in the Liouvillian. Optionally, the steadystate density matrix `rhoss`
and the current operators `J_ops` correpsonding to the current collapse
operators `c_ops` can also be specified. If either of
`rhoss` and `J_ops` are omitted, they will be computed internally.
'wlist' is an optional list of frequencies at which to evaluate the noise
spectrum.
Note:
The default method is a direct solution using dense matrices, as sparse
matrix methods fail for some examples of small systems.
For larger systems it is reccomended to use the sparse solver
with the direct method, as it avoids explicit calculation of the
pseudo-inverse, as described in page 67 of "Electrons in nanostructures"
C. Flindt, PhD Thesis, available online:
http://orbit.dtu.dk/fedora/objects/orbit:82314/datastreams/file_4732600/content
Parameters
----------
L : :class:`qutip.Qobj`
Qobj representing the system Liouvillian.
c_ops : array / list
List of current collapse operators.
rhoss : :class:`qutip.Qobj` (optional)
The steadystate density matrix corresponding the system Liouvillian
`L`.
wlist : array / list (optional)
List of frequencies at which to evaluate (if none are given, evaluates
at zero frequency)
J_ops : array / list (optional)
List of current superoperators.
sparse : bool
Flag that indicates whether to use sparse or dense matrix methods when
computing the pseudo inverse. Default is false, as sparse solvers
can fail for small systems. For larger systems the sparse solvers
are reccomended.
Returns
--------
I, S : tuple of arrays
The currents `I` corresponding to each current collapse operator
`c_ops` (or, equivalently, each current superopeator `J_ops`) and the
zero-frequency cross-current correlation `S`.
"""
if rhoss is None:
rhoss = steadystate(L, c_ops)
if J_ops is None:
J_ops = [sprepost(c, c.dag()) for c in c_ops]
N = len(J_ops)
I = np.zeros(N)
if wlist is None:
S = np.zeros((N, N,1))
wlist=[0.]
else:
S = np.zeros((N, N,len(wlist)))
if sparse == False:
rhoss_vec = mat2vec(rhoss.full()).ravel()
for k,w in enumerate(wlist):
R = pseudo_inverse(L, rhoss=rhoss, w= w, sparse = sparse, method=method)
for i, Ji in enumerate(J_ops):
for j, Jj in enumerate(J_ops):
if i == j:
I[i] = expect_rho_vec(Ji.data, rhoss_vec, 1)
S[i, j,k] = I[i]
S[i, j,k] -= expect_rho_vec((Ji * R * Jj
+ Jj * R * Ji).data,
rhoss_vec, 1)
else:
if method == "direct":
N = np.prod(L.dims[0][0])
rhoss_vec = operator_to_vector(rhoss)
tr_op = tensor([identity(n) for n in L.dims[0][0]])
tr_op_vec = operator_to_vector(tr_op)
Pop = sp.kron(rhoss_vec.data, tr_op_vec.data.T, format='csr')
Iop = sp.eye(N*N, N*N, format='csr')
Q = Iop - Pop
for k,w in enumerate(wlist):
if w != 0.0:
L_temp = 1.0j*w*spre(tr_op) + L
else: #At zero frequency some solvers fail for small systems.
#Adding a small finite frequency of order 1e-15
#helps prevent the solvers from throwing an exception.
L_temp = 1.0j*(1e-15)*spre(tr_op) + L
if not settings.has_mkl:
A = L_temp.data.tocsc()
else:
A = L_temp.data.tocsr()
A.sort_indices()
rhoss_vec = mat2vec(rhoss.full()).ravel()
for j, Jj in enumerate(J_ops):
Qj = Q.dot( Jj.data.dot( rhoss_vec))
try:
if settings.has_mkl:
X_rho_vec_j = mkl_spsolve(A,Qj)
else:
X_rho_vec_j = sp.linalg.splu(A, permc_spec
='COLAMD').solve(Qj)
except:
X_rho_vec_j = sp.linalg.lsqr(A,Qj)[0]
for i, Ji in enumerate(J_ops):
Qi = Q.dot( Ji.data.dot(rhoss_vec))
try:
if settings.has_mkl:
X_rho_vec_i = mkl_spsolve(A,Qi)
else:
X_rho_vec_i = sp.linalg.splu(A, permc_spec
='COLAMD').solve(Qi)
except:
X_rho_vec_i = sp.linalg.lsqr(A,Qi)[0]
if i == j:
I[i] = expect_rho_vec(Ji.data,
rhoss_vec, 1)
S[j, i, k] = I[i]
S[j, i, k] -= (expect_rho_vec(Jj.data * Q,
X_rho_vec_i, 1)
+ expect_rho_vec(Ji.data * Q,
X_rho_vec_j, 1))
else:
rhoss_vec = mat2vec(rhoss.full()).ravel()
for k,w in enumerate(wlist):
R = pseudo_inverse(L,rhoss=rhoss, w= w, sparse = sparse,
method=method)
for i, Ji in enumerate(J_ops):
for j, Jj in enumerate(J_ops):
if i == j:
I[i] = expect_rho_vec(Ji.data, rhoss_vec, 1)
S[i, j, k] = I[i]
S[i, j, k] -= expect_rho_vec((Ji * R * Jj
+ Jj * R * Ji).data,
rhoss_vec, 1)
return I, S
def bloch_redfield_solve(R, ekets, rho0, tlist, e_ops=[], options=None):
"""
Evolve the ODEs defined by Bloch-Redfield master equation. The
Bloch-Redfield tensor can be calculated by the function
:func:`bloch_redfield_tensor`.
Parameters
----------
R : :class:`qutip.qobj`
Bloch-Redfield tensor.
ekets : array of :class:`qutip.qobj`
Array of kets that make up a basis tranformation for the eigenbasis.
rho0 : :class:`qutip.qobj`
Initial density matrix.
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.Qdeoptions`
Options for the ODE solver.
Returns
-------
output: :class:`qutip.solver`
An instance of the class :class:`qutip.solver`, which contains either
an *array* of expectation values for the times specified by `tlist`.
"""
if options is None:
options = Options()
if options.tidy:
R.tidyup()
#
# check initial state
#
if isket(rho0):
# Got a wave function as initial state: convert to density matrix.
rho0 = rho0 * rho0.dag()
#
# prepare output array
#
n_tsteps = len(tlist)
dt = tlist[1] - tlist[0]
result_list = []
#
# transform the initial density matrix and the e_ops opterators to the
# eigenbasis
#
rho_eb = rho0.transform(ekets)
e_eb_ops = [e.transform(ekets) for e in e_ops]
for e_eb in e_eb_ops:
result_list.append(np.zeros(n_tsteps, dtype=complex))
#
# setup integrator
#
initial_vector = mat2vec(rho_eb.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=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(initial_vector, tlist[0])
#
# start evolution
#
dt = np.diff(tlist)
for t_idx, _ in enumerate(tlist):
if not r.successful():
break
rho_eb.data = vec2mat(r.y)
# calculate all the expectation values, or output rho_eb if no
# expectation value operators are given
if e_ops:
rho_eb_tmp = Qobj(rho_eb)
for m, e in enumerate(e_eb_ops):
result_list[m][t_idx] = expect(e, rho_eb_tmp)
else:
result_list.append(rho_eb.transform(ekets, True))
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
return result_list
def propagator(H, t, c_op_list=[], args={}, options=None,
unitary_mode='batch', parallel=False,
progress_bar=None, **kwargs):
"""
Calculate the propagator U(t) for the density matrix or wave function such
that :math:`\psi(t) = U(t)\psi(0)` or
:math:`\\rho_{\mathrm vec}(t) = U(t) \\rho_{\mathrm vec}(0)`
where :math:`\\rho_{\mathrm vec}` is the vector representation of the
density matrix.
Parameters
----------
H : qobj or list
Hamiltonian as a Qobj instance of a nested list of Qobjs and
coefficients in the list-string or list-function format for
time-dependent Hamiltonians (see description in :func:`qutip.mesolve`).
t : float or array-like
Time or list of times for which to evaluate the propagator.
c_op_list : list
List of qobj collapse operators.
args : list/array/dictionary
Parameters to callback functions for time-dependent Hamiltonians and
collapse operators.
options : :class:`qutip.Options`
with options for the ODE solver.
unitary_mode = str ('batch', 'single')
Solve all basis vectors simulaneously ('batch') or individually
('single').
parallel : bool {False, True}
Run the propagator in parallel mode. This will override the
unitary_mode settings if set to True.
progress_bar: BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation. By default no progress bar
is used, and if set to True a TextProgressBar will be used.
Returns
-------
a : qobj
Instance representing the propagator :math:`U(t)`.
"""
kw = _default_kwargs()
if 'num_cpus' in kwargs:
num_cpus = kwargs['num_cpus']
else:
num_cpus = kw['num_cpus']
if progress_bar is None:
progress_bar = BaseProgressBar()
elif progress_bar is True:
progress_bar = TextProgressBar()
if options is None:
options = Options()
options.rhs_reuse = True
rhs_clear()
if isinstance(t, (int, float, np.integer, np.floating)):
tlist = [0, t]
else:
tlist = t
td_type = _td_format_check(H, c_op_list, solver='me')
if isinstance(H, (types.FunctionType, types.BuiltinFunctionType,
functools.partial)):
H0 = H(0.0, args)
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
else:
H0 = H
if len(c_op_list) == 0 and H0.isoper:
# calculate propagator for the wave function
N = H0.shape[0]
dims = H0.dims
if parallel:
unitary_mode = 'single'
u = np.zeros([N, N, len(tlist)], dtype=complex)
output = parallel_map(_parallel_sesolve,range(N),
task_args=(N,H, tlist,args,options),
progress_bar=progress_bar, num_cpus=num_cpus)
for n in range(N):
for k, t in enumerate(tlist):
u[:, n, k] = output[n].states[k].full().T
else:
if unitary_mode == 'single':
u = np.zeros([N, N, len(tlist)], dtype=complex)
progress_bar.start(N)
for n in range(0, N):
progress_bar.update(n)
psi0 = basis(N, n)
output = sesolve(H, psi0, tlist, [], args, options, _safe_mode=False)
for k, t in enumerate(tlist):
u[:, n, k] = output.states[k].full().T
progress_bar.finished()
elif unitary_mode =='batch':
u = np.zeros(len(tlist), dtype=object)
_rows = np.array([(N+1)*m for m in range(N)])
_cols = np.zeros_like(_rows)
_data = np.ones_like(_rows,dtype=complex)
psi0 = Qobj(sp.coo_matrix((_data,(_rows,_cols))).tocsr())
if td_type[1] > 0 or td_type[2] > 0:
H2 = []
for k in range(len(H)):
if isinstance(H[k], list):
H2.append([tensor(qeye(N), H[k][0]), H[k][1]])
else:
H2.append(tensor(qeye(N), H[k]))
else:
H2 = tensor(qeye(N), H)
output = sesolve(H2, psi0, tlist, [] , args = args, _safe_mode=False,
options=Options(normalize_output=False))
for k, t in enumerate(tlist):
u[k] = sp_reshape(output.states[k].data, (N, N))
unit_row_norm(u[k].data, u[k].indptr, u[k].shape[0])
u[k] = u[k].T.tocsr()
else:
raise Exception('Invalid unitary mode.')
elif len(c_op_list) == 0 and H0.issuper:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
unitary_mode = 'single'
N = H0.shape[0]
sqrt_N = int(np.sqrt(N))
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
if parallel:
output = parallel_map(_parallel_mesolve,range(N * N),
task_args=(sqrt_N,H,tlist,c_op_list,args,options),
progress_bar=progress_bar, num_cpus=num_cpus)
for n in range(N * N):
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output[n].states[k].full()).T
else:
progress_bar.start(N)
for n in range(0, N):
progress_bar.update(n)
col_idx, row_idx = np.unravel_index(n,(sqrt_N,sqrt_N))
rho0 = Qobj(sp.csr_matrix(([1],([row_idx],[col_idx])), shape=(sqrt_N,sqrt_N), dtype=complex))
output = mesolve(H, rho0, tlist, [], [], args, options, _safe_mode=False)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
progress_bar.finished()
else:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
unitary_mode = 'single'
N = H0.shape[0]
dims = [H0.dims, H0.dims]
u = np.zeros([N * N, N * N, len(tlist)], dtype=complex)
if parallel:
output = parallel_map(_parallel_mesolve,range(N * N),
task_args=(N,H,tlist,c_op_list,args,options),
progress_bar=progress_bar, num_cpus=num_cpus)
for n in range(N * N):
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output[n].states[k].full()).T
else:
progress_bar.start(N * N)
for n in range(N * N):
progress_bar.update(n)
col_idx, row_idx = np.unravel_index(n,(N,N))
rho0 = Qobj(sp.csr_matrix(([1],([row_idx],[col_idx])), shape=(N,N), dtype=complex))
output = mesolve(H, rho0, tlist, c_op_list, [], args, options, _safe_mode=False)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
progress_bar.finished()
if len(tlist) == 2:
if unitary_mode == 'batch':
return Qobj(u[-1], dims=dims)
else:
return Qobj(u[:, :, 1], dims=dims)
else:
if unitary_mode == 'batch':
return np.array([Qobj(u[k], dims=dims) for k in range(len(tlist))], dtype=object)
else:
return np.array([Qobj(u[:, :, k], dims=dims) for k in range(len(tlist))], dtype=object)
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 propagator(H,
t,
c_op_list,
args=None,
options=None,
sparse=False,
progress_bar=None):
"""
Calculate the propagator U(t) for the density matrix or wave function such
that :math:`\psi(t) = U(t)\psi(0)` or
:math:`\\rho_{\mathrm vec}(t) = U(t) \\rho_{\mathrm vec}(0)`
where :math:`\\rho_{\mathrm vec}` is the vector representation of the
density matrix.
Parameters
----------
H : qobj or list
Hamiltonian as a Qobj instance of a nested list of Qobjs and
coefficients in the list-string or list-function format for
time-dependent Hamiltonians (see description in :func:`qutip.mesolve`).
t : float or array-like
Time or list of times for which to evaluate the propagator.
c_op_list : list
List of qobj collapse operators.
args : list/array/dictionary
Parameters to callback functions for time-dependent Hamiltonians and
collapse operators.
options : :class:`qutip.Options`
with options for the ODE solver.
progress_bar: BaseProgressBar
Optional instance of BaseProgressBar, or a subclass thereof, for
showing the progress of the simulation. By default no progress bar
is used, and if set to True a TextProgressBar will be used.
Returns
-------
a : qobj
Instance representing the propagator :math:`U(t)`.
"""
if progress_bar is None:
progress_bar = BaseProgressBar()
elif progress_bar is True:
progress_bar = TextProgressBar()
if options is None:
options = Options()
options.rhs_reuse = True
rhs_clear()
if isinstance(t, (int, float, np.integer, np.floating)):
tlist = [0, t]
else:
tlist = t
if isinstance(
H,
(types.FunctionType, types.BuiltinFunctionType, functools.partial)):
H0 = H(0.0, args)
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
else:
H0 = H
if len(c_op_list) == 0 and H0.isoper:
# calculate propagator for the wave function
N = H0.shape[0]
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
progress_bar.start(N)
for n in range(0, N):
progress_bar.update(n)
psi0 = basis(N, n)
output = sesolve(H, psi0, tlist, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = output.states[k].full().T
progress_bar.finished()
# todo: evolving a batch of wave functions:
# psi_0_list = [basis(N, n) for n in range(N)]
# psi_t_list = mesolve(H, psi_0_list, [0, t], [], [], args, options)
# for n in range(0, N):
# u[:,n] = psi_t_list[n][1].full().T
elif len(c_op_list) == 0 and H0.issuper:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
N = H0.shape[0]
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
progress_bar.start(N)
for n in range(0, N):
progress_bar.update(n)
psi0 = basis(N, n)
rho0 = Qobj(vec2mat(psi0.full()))
output = mesolve(H, rho0, tlist, [], [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
progress_bar.finished()
else:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
N = H0.shape[0]
dims = [H0.dims, H0.dims]
u = np.zeros([N * N, N * N, len(tlist)], dtype=complex)
if sparse:
progress_bar.start(N * N)
for n in range(N * N):
progress_bar.update(n)
psi0 = basis(N * N, n)
psi0.dims = [dims[0], 1]
rho0 = vector_to_operator(psi0)
output = mesolve(H, rho0, tlist, c_op_list, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = operator_to_vector(
output.states[k]).full(squeeze=True)
progress_bar.finished()
else:
progress_bar.start(N * N)
for n in range(N * N):
progress_bar.update(n)
psi0 = basis(N * N, n)
rho0 = Qobj(vec2mat(psi0.full()))
output = mesolve(H, rho0, tlist, c_op_list, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
progress_bar.finished()
if len(tlist) == 2:
return Qobj(u[:, :, 1], dims=dims)
else:
return [Qobj(u[:, :, k], dims=dims) for k in range(len(tlist))]
def _mesolve_list_td(H_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):
# if initial state is a ket and no collapse operator where given,
# fall back on the unitary schrodinger equation solver
if len(c_op_list) == 0:
return _sesolve_list_td(H_func, rho0, tlist, e_ops, args, opt, progress_bar)
# Got a wave function as initial state: convert to density matrix.
rho0 = ket2dm(rho0)
#
# construct liouvillian
#
if len(H_func) != 2:
raise TypeError("Time-dependent Hamiltonian list must have two terms.")
if not isinstance(H_func[0], (list, np.ndarray)) or len(H_func[0]) <= 1:
raise TypeError("Time-dependent Hamiltonians must be a list " + "with two or more terms")
if (not isinstance(H_func[1], (list, np.ndarray))) or (len(H_func[1]) != (len(H_func[0]) - 1)):
raise TypeError(
"Time-dependent coefficients must be list with "
+ "length N-1 where N is the number of "
+ "Hamiltonian terms."
)
if opt.rhs_reuse and config.tdfunc is None:
rhs_generate(H_func, args)
lenh = len(H_func[0])
if opt.tidy:
H_func[0] = [(H_func[0][k]).tidyup() for k in range(lenh)]
L_func = [[liouvillian(H_func[0][0], c_op_list)], H_func[1]]
for m in range(1, lenh):
L_func[0].append(liouvillian(H_func[0][m], []))
# create data arrays for time-dependent RHS function
Ldata = [L_func[0][k].data.data for k in range(lenh)]
Linds = [L_func[0][k].data.indices for k in range(lenh)]
Lptrs = [L_func[0][k].data.indptr for k in range(lenh)]
# setup ode args string
string = ""
for k in range(lenh):
string += "Ldata[%d], Linds[%d], Lptrs[%d]," % (k, k, k)
if args:
td_consts = args.items()
for elem in td_consts:
string += str(elem[1])
if elem != td_consts[-1]:
string += ","
# run code generator
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(" + string + ")", "<string>", "exec")
exec(code)
#
# call generic ODE code
#
return _generic_ode_solve(r, rho0, tlist, e_ops, opt, progress_bar)
def propagator(H, t, c_op_list, args=None, options=None, sparse=False):
"""
Calculate the propagator U(t) for the density matrix or wave function such
that :math:`\psi(t) = U(t)\psi(0)` or
:math:`\\rho_{\mathrm vec}(t) = U(t) \\rho_{\mathrm vec}(0)`
where :math:`\\rho_{\mathrm vec}` is the vector representation of the
density matrix.
Parameters
----------
H : qobj or list
Hamiltonian as a Qobj instance of a nested list of Qobjs and
coefficients in the list-string or list-function format for
time-dependent Hamiltonians (see description in :func:`qutip.mesolve`).
t : float or array-like
Time or list of times for which to evaluate the propagator.
c_op_list : list
List of qobj collapse operators.
args : list/array/dictionary
Parameters to callback functions for time-dependent Hamiltonians and
collapse operators.
options : :class:`qutip.Options`
with options for the ODE solver.
Returns
-------
a : qobj
Instance representing the propagator :math:`U(t)`.
"""
if options is None:
options = Options()
options.rhs_reuse = True
rhs_clear()
if isinstance(t, (int, float, np.integer, np.floating)):
tlist = [0, t]
else:
tlist = t
if isinstance(H, (types.FunctionType, types.BuiltinFunctionType,
functools.partial)):
H0 = H(0.0, args)
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
else:
H0 = H
if len(c_op_list) == 0 and H0.isoper:
# calculate propagator for the wave function
N = H0.shape[0]
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
for n in range(0, N):
psi0 = basis(N, n)
output = sesolve(H, psi0, tlist, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = output.states[k].full().T
# todo: evolving a batch of wave functions:
# psi_0_list = [basis(N, n) for n in range(N)]
# psi_t_list = mesolve(H, psi_0_list, [0, t], [], [], args, options)
# for n in range(0, N):
# u[:,n] = psi_t_list[n][1].full().T
elif len(c_op_list) == 0 and H0.issuper:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
N = H0.shape[0]
dims = H0.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
for n in range(0, N):
psi0 = basis(N, n)
rho0 = Qobj(vec2mat(psi0.full()))
output = mesolve(H, rho0, tlist, [], [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
else:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
N = H0.shape[0]
dims = [H0.dims, H0.dims]
u = np.zeros([N * N, N * N, len(tlist)], dtype=complex)
if sparse:
for n in range(N * N):
psi0 = basis(N * N, n)
psi0.dims = [dims[0], 1]
rho0 = vector_to_operator(psi0)
output = mesolve(H, rho0, tlist, c_op_list, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = operator_to_vector(
output.states[k]).full(squeeze=True)
else:
for n in range(N * N):
psi0 = basis(N * N, n)
rho0 = Qobj(vec2mat(psi0.full()))
output = mesolve(H, rho0, tlist, c_op_list, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
if len(tlist) == 2:
return Qobj(u[:, :, 1], dims=dims)
else:
return [Qobj(u[:, :, k], dims=dims) for k in range(len(tlist))]
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 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 propagator(H, t, c_op_list, H_args=None, opt=None):
"""
Calculate the propagator U(t) for the density matrix or wave function such
that :math:`\psi(t) = U(t)\psi(0)` or
:math:`\\rho_{\mathrm vec}(t) = U(t) \\rho_{\mathrm vec}(0)`
where :math:`\\rho_{\mathrm vec}` is the vector representation of the
density matrix.
Parameters
----------
H : qobj or list
Hamiltonian as a Qobj instance of a nested list of Qobjs and
coefficients in the list-string or list-function format for
time-dependent Hamiltonians (see description in :func:`qutip.mesolve`).
t : float or array-like
Time or list of times for which to evaluate the propagator.
c_op_list : list
List of qobj collapse operators.
H_args : list/array/dictionary
Parameters to callback functions for time-dependent Hamiltonians.
Returns
-------
a : qobj
Instance representing the propagator :math:`U(t)`.
"""
if opt is None:
opt = Odeoptions()
opt.rhs_reuse = True
tlist = [0, t] if isinstance(t, (int, float, np.int64, np.float64)) else t
if len(c_op_list) == 0:
# calculate propagator for the wave function
if isinstance(H, types.FunctionType):
H0 = H(0.0, H_args)
N = H0.shape[0]
dims = H0.dims
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
N = H0.shape[0]
dims = H0.dims
else:
N = H.shape[0]
dims = H.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
for n in range(0, N):
psi0 = basis(N, n)
output = mesolve(H, psi0, tlist, [], [], H_args, opt)
for k, t in enumerate(tlist):
u[:, n, k] = output.states[k].full().T
# todo: evolving a batch of wave functions:
#psi_0_list = [basis(N, n) for n in range(N)]
#psi_t_list = mesolve(H, psi_0_list, [0, t], [], [], H_args, opt)
#for n in range(0, N):
# u[:,n] = psi_t_list[n][1].full().T
else:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
if isinstance(H, types.FunctionType):
H0 = H(0.0, H_args)
N = H0.shape[0]
dims = [H0.dims, H0.dims]
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
N = H0.shape[0]
dims = [H0.dims, H0.dims]
else:
N = H.shape[0]
dims = [H.dims, H.dims]
u = np.zeros([N * N, N * N, len(tlist)], dtype=complex)
for n in range(0, N * N):
psi0 = basis(N * N, n)
rho0 = Qobj(vec2mat(psi0.full()))
output = mesolve(H, rho0, tlist, c_op_list, [], H_args, opt)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
if len(tlist) == 2:
return Qobj(u[:, :, 1], dims=dims)
else:
return [Qobj(u[:, :, k], dims=dims) for k in range(len(tlist))]
def propagator(H, t, c_op_list, args=None, options=None):
"""
Calculate the propagator U(t) for the density matrix or wave function such
that :math:`\psi(t) = U(t)\psi(0)` or
:math:`\\rho_{\mathrm vec}(t) = U(t) \\rho_{\mathrm vec}(0)`
where :math:`\\rho_{\mathrm vec}` is the vector representation of the
density matrix.
Parameters
----------
H : qobj or list
Hamiltonian as a Qobj instance of a nested list of Qobjs and
coefficients in the list-string or list-function format for
time-dependent Hamiltonians (see description in :func:`qutip.mesolve`).
t : float or array-like
Time or list of times for which to evaluate the propagator.
c_op_list : list
List of qobj collapse operators.
args : list/array/dictionary
Parameters to callback functions for time-dependent Hamiltonians and
collapse operators.
options : :class:`qutip.Odeoptions`
with options for the ODE solver.
Returns
-------
a : qobj
Instance representing the propagator :math:`U(t)`.
"""
if options is None:
options = Odeoptions()
options.rhs_reuse = True
rhs_clear()
elif options.rhs_reuse:
msg = ("propagator is using previously defined rhs " +
"function (options.rhs_reuse = True)")
warnings.warn(msg)
tlist = [0, t] if isinstance(t, (int, float, np.int64, np.float64)) else t
if len(c_op_list) == 0:
# calculate propagator for the wave function
if isinstance(H, types.FunctionType):
H0 = H(0.0, args)
N = H0.shape[0]
dims = H0.dims
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
N = H0.shape[0]
dims = H0.dims
else:
N = H.shape[0]
dims = H.dims
u = np.zeros([N, N, len(tlist)], dtype=complex)
for n in range(0, N):
psi0 = basis(N, n)
output = sesolve(H, psi0, tlist, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = output.states[k].full().T
# todo: evolving a batch of wave functions:
# psi_0_list = [basis(N, n) for n in range(N)]
# psi_t_list = mesolve(H, psi_0_list, [0, t], [], [], args, options)
# for n in range(0, N):
# u[:,n] = psi_t_list[n][1].full().T
else:
# calculate the propagator for the vector representation of the
# density matrix (a superoperator propagator)
if isinstance(H, types.FunctionType):
H0 = H(0.0, args)
N = H0.shape[0]
dims = [H0.dims, H0.dims]
elif isinstance(H, list):
H0 = H[0][0] if isinstance(H[0], list) else H[0]
N = H0.shape[0]
dims = [H0.dims, H0.dims]
else:
N = H.shape[0]
dims = [H.dims, H.dims]
u = np.zeros([N * N, N * N, len(tlist)], dtype=complex)
for n in range(0, N * N):
psi0 = basis(N * N, n)
rho0 = Qobj(vec2mat(psi0.full()))
output = mesolve(H, rho0, tlist, c_op_list, [], args, options)
for k, t in enumerate(tlist):
u[:, n, k] = mat2vec(output.states[k].full()).T
if len(tlist) == 2:
return Qobj(u[:, :, 1], dims=dims)
else:
return [Qobj(u[:, :, k], dims=dims) for k in range(len(tlist))]
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 countstat_current_noise(L,
c_ops,
wlist=None,
rhoss=None,
J_ops=None,
sparse=True,
method='direct'):
"""
Compute the cross-current noise spectrum for a list of collapse operators
`c_ops` corresponding to monitored currents, given the system
Liouvillian `L`. The current collapse operators `c_ops` should be part
of the dissipative processes in `L`, but the `c_ops` given here does not
necessarily need to be all collapse operators contributing to dissipation
in the Liouvillian. Optionally, the steadystate density matrix `rhoss`
and the current operators `J_ops` correpsonding to the current collapse
operators `c_ops` can also be specified. If either of
`rhoss` and `J_ops` are omitted, they will be computed internally.
'wlist' is an optional list of frequencies at which to evaluate the noise
spectrum.
Note:
The default method is a direct solution using dense matrices, as sparse
matrix methods fail for some examples of small systems.
For larger systems it is reccomended to use the sparse solver
with the direct method, as it avoids explicit calculation of the
pseudo-inverse, as described in page 67 of "Electrons in nanostructures"
C. Flindt, PhD Thesis, available online:
http://orbit.dtu.dk/fedora/objects/orbit:82314/datastreams/file_4732600/content
Parameters
----------
L : :class:`qutip.Qobj`
Qobj representing the system Liouvillian.
c_ops : array / list
List of current collapse operators.
rhoss : :class:`qutip.Qobj` (optional)
The steadystate density matrix corresponding the system Liouvillian
`L`.
wlist : array / list (optional)
List of frequencies at which to evaluate (if none are given, evaluates
at zero frequency)
J_ops : array / list (optional)
List of current superoperators.
sparse : bool
Flag that indicates whether to use sparse or dense matrix methods when
computing the pseudo inverse. Default is false, as sparse solvers
can fail for small systems. For larger systems the sparse solvers
are reccomended.
Returns
--------
I, S : tuple of arrays
The currents `I` corresponding to each current collapse operator
`c_ops` (or, equivalently, each current superopeator `J_ops`) and the
zero-frequency cross-current correlation `S`.
"""
if rhoss is None:
rhoss = steadystate(L, c_ops)
if J_ops is None:
J_ops = [sprepost(c, c.dag()) for c in c_ops]
N = len(J_ops)
I = np.zeros(N)
if wlist is None:
S = np.zeros((N, N, 1))
wlist = [0.]
else:
S = np.zeros((N, N, len(wlist)))
if sparse == False:
rhoss_vec = mat2vec(rhoss.full()).ravel()
for k, w in enumerate(wlist):
R = pseudo_inverse(L,
rhoss=rhoss,
w=w,
sparse=sparse,
method=method)
for i, Ji in enumerate(J_ops):
for j, Jj in enumerate(J_ops):
if i == j:
I[i] = expect_rho_vec(Ji.data, rhoss_vec, 1)
S[i, j, k] = I[i]
S[i, j, k] -= expect_rho_vec(
(Ji * R * Jj + Jj * R * Ji).data, rhoss_vec, 1)
else:
if method == "direct":
N = np.prod(L.dims[0][0])
rhoss_vec = operator_to_vector(rhoss)
tr_op = tensor([identity(n) for n in L.dims[0][0]])
tr_op_vec = operator_to_vector(tr_op)
Pop = sp.kron(rhoss_vec.data, tr_op_vec.data.T, format='csr')
Iop = sp.eye(N * N, N * N, format='csr')
Q = Iop - Pop
for k, w in enumerate(wlist):
if w != 0.0:
L_temp = 1.0j * w * spre(tr_op) + L
else: #At zero frequency some solvers fail for small systems.
#Adding a small finite frequency of order 1e-15
#helps prevent the solvers from throwing an exception.
L_temp = 1.0j * (1e-15) * spre(tr_op) + L
if not settings.has_mkl:
A = L_temp.data.tocsc()
else:
A = L_temp.data.tocsr()
A.sort_indices()
rhoss_vec = mat2vec(rhoss.full()).ravel()
for j, Jj in enumerate(J_ops):
Qj = Q.dot(Jj.data.dot(rhoss_vec))
try:
if settings.has_mkl:
X_rho_vec_j = mkl_spsolve(A, Qj)
else:
X_rho_vec_j = sp.linalg.splu(
A, permc_spec='COLAMD').solve(Qj)
except:
X_rho_vec_j = sp.linalg.lsqr(A, Qj)[0]
for i, Ji in enumerate(J_ops):
Qi = Q.dot(Ji.data.dot(rhoss_vec))
try:
if settings.has_mkl:
X_rho_vec_i = mkl_spsolve(A, Qi)
else:
X_rho_vec_i = sp.linalg.splu(
A, permc_spec='COLAMD').solve(Qi)
except:
X_rho_vec_i = sp.linalg.lsqr(A, Qi)[0]
if i == j:
I[i] = expect_rho_vec(Ji.data, rhoss_vec, 1)
S[j, i, k] = I[i]
S[j, i,
k] -= (expect_rho_vec(Jj.data * Q, X_rho_vec_i, 1) +
expect_rho_vec(Ji.data * Q, X_rho_vec_j, 1))
else:
rhoss_vec = mat2vec(rhoss.full()).ravel()
for k, w in enumerate(wlist):
R = pseudo_inverse(L,
rhoss=rhoss,
w=w,
sparse=sparse,
method=method)
for i, Ji in enumerate(J_ops):
for j, Jj in enumerate(J_ops):
if i == j:
I[i] = expect_rho_vec(Ji.data, rhoss_vec, 1)
S[i, j, k] = I[i]
S[i, j, k] -= expect_rho_vec(
(Ji * R * Jj + Jj * R * Ji).data, rhoss_vec, 1)
return I, S
def floquet_markov_mesolve(R, ekets, rho0, tlist, e_ops, options=None):
"""
Solve the dynamics for the system using the Floquet-Markov master equation.
"""
if options == None:
opt = Odeoptions()
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 = Odedata()
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:
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 and the e_ops opterators to the
# eigenbasis: from computational basis to the floquet basis
#
if ekets != None:
rho0 = rho0.transform(ekets, True)
if isinstance(e_ops, list):
for n in np.arange(len(e_ops)): # not working
e_ops[n] = e_ops[n].transform(ekets) #
#
# setup integrator
#
initial_vector = mat2vec(rho0.full())
r = scipy.integrate.ode(cyq_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
e_ops(t, Qobj(rho))
else:
# calculate all the expectation values, or output rho if no operators
if n_expt_op == 0:
output.states.append(Qobj(rho)) # copy psi/rho
else:
for m in range(0, n_expt_op):
output.expect[m][t_idx] = expect(e_ops[m], rho) # basis OK?
r.integrate(r.t + dt)
t_idx += 1
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 bloch_redfield_solve(R, ekets, rho0, tlist, e_ops=[], options=None):
"""
Evolve the ODEs defined by Bloch-Redfield master equation. The
Bloch-Redfield tensor can be calculated by the function
:func:`bloch_redfield_tensor`.
Parameters
----------
R : :class:`qutip.qobj`
Bloch-Redfield tensor.
ekets : array of :class:`qutip.qobj`
Array of kets that make up a basis tranformation for the eigenbasis.
rho0 : :class:`qutip.qobj`
Initial density matrix.
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.Qdeoptions`
Options for the ODE solver.
Returns
-------
output: :class:`qutip.solver`
An instance of the class :class:`qutip.solver`, which contains either
an *array* of expectation values for the times specified by `tlist`.
"""
if options is None:
options = Options()
if options.tidy:
R.tidyup()
#
# check initial state
#
if isket(rho0):
# Got a wave function as initial state: convert to density matrix.
rho0 = rho0 * rho0.dag()
#
# prepare output array
#
n_tsteps = len(tlist)
dt = tlist[1] - tlist[0]
result_list = []
#
# transform the initial density matrix and the e_ops opterators to the
# eigenbasis
#
rho_eb = rho0.transform(ekets)
e_eb_ops = [e.transform(ekets) for e in e_ops]
for e_eb in e_eb_ops:
result_list.append(np.zeros(n_tsteps, dtype=complex))
#
# setup integrator
#
initial_vector = mat2vec(rho_eb.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=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(initial_vector, tlist[0])
#
# start evolution
#
dt = np.diff(tlist)
for t_idx, _ in enumerate(tlist):
if not r.successful():
break
rho_eb.data = vec2mat(r.y)
# calculate all the expectation values, or output rho_eb if no
# expectation value operators are given
if e_ops:
rho_eb_tmp = Qobj(rho_eb)
for m, e in enumerate(e_eb_ops):
result_list[m][t_idx] = expect(e, rho_eb_tmp)
else:
result_list.append(rho_eb.transform(ekets, True))
if t_idx < n_tsteps - 1:
r.integrate(r.t + dt[t_idx])
return result_list
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
