def test_qsd_codegen_parameters():
k = symbols(r'kappa', positive=True)
x = symbols(r'chi', real=True)
c = symbols("c")
a = Destroy(1)
H = x * (a * a + a.dag() * a.dag()) + (c * a.dag() + c.conjugate() * a)
L = sqrt(k) * a
slh = SLH(identity_matrix(1), [L], H)
codegen = QSDCodeGen(circuit=slh, num_vals={x: 2., c: 1 + 2j, k: 2})
scode = codegen._parameters_lines(indent=0)
assert dedent(scode).strip() == dedent("""
Complex I(0.0,1.0);
Complex c(1,2);
double chi = 2;
double kappa = 2;""").strip()
codegen.num_vals.update({c: 1})
scode = codegen._parameters_lines(indent=0)
assert dedent(scode).strip() == dedent("""
Complex I(0.0,1.0);
Complex c(1,0);
double chi = 2;
double kappa = 2;""").strip()
del codegen.num_vals[c]
with pytest.raises(KeyError) as excinfo:
scode = codegen._parameters_lines(indent=0)
assert "There is no value for symbol c" in str(excinfo.value)
def test_latex_symbols(slh_Sec6):
"""Test that if any of the symbols contain "special" characters such as
backslashes (LaTeX code), we still get valid C++ code (basic ASCII words
only)."""
k = symbols("\kappa", positive=True)
x = symbols(r"\chi^{(1)}_{\text{main}}", real=True)
c = symbols("c")
a = Destroy(1)
H = x * (a * a + a.dag() * a.dag()) + (c * a.dag() + c.conjugate() * a)
L = sqrt(k) * a
slh = SLH(identity_matrix(1), [L], H)
codegen = QSDCodeGen(circuit=slh, num_vals={x: 2.0, c: 1 + 2j, k: 2})
scode = codegen._parameters_lines(indent=0)
assert (
dedent(scode).strip()
== dedent(
"""
Complex I(0.0,1.0);
Complex c(1,2);
double chi_1_textmain = 2;
double kappa = 2;"""
).strip()
)
def test_ordered_tensor_operands(slh_Sec6):
codegen = QSDCodeGen(circuit=slh_Sec6)
psi = BasisKet(0, 0) * BasisKet(1, 0)
assert (list(psi.operands) == list(codegen._ordered_tensor_operands(psi)))
psi = TensorKet(BasisKet(1, 0), BasisKet(0, 0))
assert (list(reversed(psi.operands)) == list(
codegen._ordered_tensor_operands(psi)))
def test_operator_hilbert_space_check():
circuit = SLH(identity_matrix(0), [], 1)
s = LocalSigma("sys", "g", "e")
codegen = QSDCodeGen(circuit)
with pytest.raises(ValueError) as exc_info:
codegen._update_qsd_ops([s])
assert "not in the circuit's Hilbert space" in str(exc_info.value)
def test_operator_hilbert_space_check():
circuit = SLH(identity_matrix(0), [], 1)
s = LocalSigma("sys", 'g', 'e')
codegen = QSDCodeGen(circuit)
with pytest.raises(ValueError) as exc_info:
codegen._update_qsd_ops([
s,
])
assert "not in the circuit's Hilbert space" in str(exc_info.value)
def test_qsd_codegen_lindblads(slh_Sec6):
codegen = QSDCodeGen(circuit=slh_Sec6)
scode = codegen._lindblads_lines(indent=0)
assert dedent(scode).strip() == dedent(r'''
const int nL = 3;
Operator L[nL]={
(sqrt(2)*sqrt(gamma_1)) * (A0),
(sqrt(2)*sqrt(gamma_2)) * (A1),
(sqrt(2)*sqrt(kappa)) * (S2_0_1)
};
''').strip()
def test_labeled_basis_op():
"""Check that in QSD code generation labeled basis states are translated
into numbered basis states"""
hs = local_space("tls", namespace="sys", basis=("g", "e"))
a = Destroy(hs)
ad = a.dag()
s = LocalSigma(hs, "g", "e")
circuit = SLH(identity_matrix(0), [], a * ad)
codegen = QSDCodeGen(circuit)
codegen._update_qsd_ops([s])
assert codegen._qsd_ops[s].instantiator == "(0,1,0)" != "(g,e,0)"
def test_labeled_basis_op():
"""Check that in QSD code generation labeled basis states are translated
into numbered basis states"""
hs = local_space('tls', namespace='sys', basis=('g', 'e'))
a = Destroy(hs)
ad = a.dag()
s = LocalSigma(hs, 'g', 'e')
circuit = SLH(identity_matrix(0), [], a * ad)
codegen = QSDCodeGen(circuit)
codegen._update_qsd_ops([
s,
])
assert codegen._qsd_ops[s].instantiator == '(0,1,0)' != '(g,e,0)'
def test_qsd_codegen_hamiltonian():
k = symbols(r"\kappa", positive=True)
x = symbols(r"\chi", real=True)
c = symbols("c", real=True)
a = Destroy(1)
H = x * (a * a + a.dag() * a.dag()) + (c * a.dag() + c.conjugate() * a)
L = sqrt(k) * a
slh = SLH(identity_matrix(1), [L], H)
codegen = QSDCodeGen(circuit=slh, num_vals={x: 2.0, c: 1, k: 2})
codegen._operator_basis_lines(indent=0)
scode = codegen._hamiltonian_lines(indent=0)
assert scode.strip() == (r"Operator H = ((c) * (Ad0) + (c) * (A0) + (chi) " r"* (((Ad0 * Ad0) + (A0 * A0))));")
def test_driven_tls(datadir):
hs = local_space('tls', namespace='sys', basis=('g', 'e'))
w = symbols(r'\omega', real=True)
pi = sympy.pi
cos = sympy.cos
t, T, E0 = symbols('t, T, E_0', real=True)
a = 0.16
blackman = 0.5 * (1 - a - cos(2 * pi * t / T) + a * cos(4 * pi * t / T))
H0 = Destroy(hs).dag() * Destroy(hs)
H1 = LocalSigma(hs, 'g', 'e') + LocalSigma(hs, 'e', 'g')
H = w * H0 + 0.5 * E0 * blackman * H1
circuit = SLH(identity_matrix(0), [], H)
num_vals = {w: 1.0, T: 10.0, E0: 1.0 * 2 * np.pi}
# test qutip conversion
H_qutip, Ls = circuit.substitute(num_vals).HL_to_qutip(time_symbol=t)
assert len(Ls) == 0
assert len(H_qutip) == 3
times = np.linspace(0, num_vals[T], 201)
psi0 = qutip.basis(2, 1)
states = qutip.mesolve(H_qutip, psi0, times, [], []).states
pop0 = np.array(qutip_population(states, state=0))
pop1 = np.array(qutip_population(states, state=1))
datfile = os.path.join(datadir, 'pops.dat')
#print("DATFILE: %s" % datfile)
#np.savetxt(datfile, np.c_[times, pop0, pop1, pop0+pop1])
pop0_expect, pop1_expect = np.genfromtxt(datfile,
unpack=True,
usecols=(1, 2))
assert np.max(np.abs(pop0 - pop0_expect)) < 1e-12
assert np.max(np.abs(pop1 - pop1_expect)) < 1e-12
# Test QSD conversion
codegen = QSDCodeGen(circuit, num_vals=num_vals, time_symbol=t)
codegen.add_observable(LocalSigma(hs, 'e', 'e'), name='P_e')
psi0 = BasisKet(hs, 'e')
codegen.set_trajectories(psi_initial=psi0,
stepper='AdaptiveStep',
dt=0.01,
nt_plot_step=5,
n_plot_steps=200,
n_trajectories=1)
scode = codegen.generate_code()
compile_cmd = _cmd_list_to_str(
codegen._build_compile_cmd(qsd_lib='$HOME/local/lib/libqsd.a',
qsd_headers='$HOME/local/include/qsd/',
executable='test_driven_tls',
path='$HOME/bin',
compiler='mpiCC',
compile_options='-g -O0'))
print(compile_cmd)
codefile = os.path.join(datadir, "test_driven_tls.cc")
#print("CODEFILE: %s" % codefile)
#with(open(codefile, 'w')) as out_fh:
#out_fh.write(scode)
#out_fh.write("\n")
with open(codefile) as in_fh:
scode_expected = in_fh.read()
assert scode.strip() == scode_expected.strip()
def test_qsd_codegen_hamiltonian():
k = symbols(r'\kappa', positive=True)
x = symbols(r'\chi', real=True)
c = symbols("c", real=True)
a = Destroy(1)
H = x * (a * a + a.dag() * a.dag()) + (c * a.dag() + c.conjugate() * a)
L = sqrt(k) * a
slh = SLH(identity_matrix(1), [L], H)
codegen = QSDCodeGen(circuit=slh, num_vals={x: 2., c: 1, k: 2})
codegen._operator_basis_lines(indent=0)
scode = codegen._hamiltonian_lines(indent=0)
assert scode.strip() == (r'Operator H = ((c) * (Ad0) + (c) * (A0) + (chi) '
r'* (((Ad0 * Ad0) + (A0 * A0))));')
def test_qsd_codegen_lindblads(slh_Sec6):
codegen = QSDCodeGen(circuit=slh_Sec6)
scode = codegen._lindblads_lines(indent=0)
assert (
dedent(scode).strip()
== dedent(
r"""
const int nL = 3;
Operator L[nL]={
(sqrt(2)*sqrt(gamma_1)) * (A0),
(sqrt(2)*sqrt(gamma_2)) * (A1),
(sqrt(2)*sqrt(kappa)) * (S2_0_1)
};
"""
).strip()
)
def test_latex_symbols(slh_Sec6):
"""Test that if any of the symbols contain "special" characters such as
backslashes (LaTeX code), we still get valid C++ code (basic ASCII words
only)."""
k = symbols("\kappa", positive=True)
x = symbols(r'\chi^{(1)}_{\text{main}}', real=True)
c = symbols("c")
a = Destroy(1)
H = x * (a * a + a.dag() * a.dag()) + (c * a.dag() + c.conjugate() * a)
L = sqrt(k) * a
slh = SLH(identity_matrix(1), [L], H)
codegen = QSDCodeGen(circuit=slh, num_vals={x: 2., c: 1 + 2j, k: 2})
scode = codegen._parameters_lines(indent=0)
assert dedent(scode).strip() == dedent("""
Complex I(0.0,1.0);
Complex c(1,2);
double chi_1_textmain = 2;
double kappa = 2;""").strip()
def test_qsd_codegen_operator_basis():
a = Destroy(1)
a.space.dimension = 10
ad = a.dag()
s = LocalSigma(2, 1, 0)
s.space.dimension = 2
sd = s.dag()
circuit = SLH(identity_matrix(0), [], a * ad + s + sd)
codegen = QSDCodeGen(circuit)
ob = codegen._operator_basis_lines(indent=0)
assert dedent(ob).strip() == dedent("""
IdentityOperator Id0(0);
IdentityOperator Id1(1);
AnnihilationOperator A0(0);
FieldTransitionOperator S1_0_1(0,1,1);
FieldTransitionOperator S1_1_0(1,0,1);
Operator Id = Id0*Id1;
Operator Ad0 = A0.hc();
""").strip()
circuit = SLH(identity_matrix(0), [], ad)
codegen = QSDCodeGen(circuit)
ob = codegen._operator_basis_lines(indent=0)
assert dedent(ob).strip() == dedent("""
IdentityOperator Id0(0);
AnnihilationOperator A0(0);
Operator Id = Id0;
Operator Ad0 = A0.hc();
""").strip()
def test_qsd_codegen_parameters():
k = symbols(r"kappa", positive=True)
x = symbols(r"chi", real=True)
c = symbols("c")
a = Destroy(1)
H = x * (a * a + a.dag() * a.dag()) + (c * a.dag() + c.conjugate() * a)
L = sqrt(k) * a
slh = SLH(identity_matrix(1), [L], H)
codegen = QSDCodeGen(circuit=slh, num_vals={x: 2.0, c: 1 + 2j, k: 2})
scode = codegen._parameters_lines(indent=0)
assert (
dedent(scode).strip()
== dedent(
"""
Complex I(0.0,1.0);
Complex c(1,2);
double chi = 2;
double kappa = 2;"""
).strip()
)
codegen.num_vals.update({c: 1})
scode = codegen._parameters_lines(indent=0)
assert (
dedent(scode).strip()
== dedent(
"""
Complex I(0.0,1.0);
Complex c(1,0);
double chi = 2;
double kappa = 2;"""
).strip()
)
del codegen.num_vals[c]
with pytest.raises(KeyError) as excinfo:
scode = codegen._parameters_lines(indent=0)
assert "There is no value for symbol c" in str(excinfo.value)
def test_qsd_codegen_operator_basis():
a = Destroy(1)
a.space.dimension = 10
ad = a.dag()
s = LocalSigma(2, 1, 0)
s.space.dimension = 2
sd = s.dag()
circuit = SLH(identity_matrix(0), [], a * ad + s + sd)
codegen = QSDCodeGen(circuit)
ob = codegen._operator_basis_lines(indent=0)
assert (
dedent(ob).strip()
== dedent(
"""
IdentityOperator Id0(0);
IdentityOperator Id1(1);
AnnihilationOperator A0(0);
FieldTransitionOperator S1_0_1(0,1,1);
FieldTransitionOperator S1_1_0(1,0,1);
Operator Id = Id0*Id1;
Operator Ad0 = A0.hc();
"""
).strip()
)
circuit = SLH(identity_matrix(0), [], ad)
codegen = QSDCodeGen(circuit)
ob = codegen._operator_basis_lines(indent=0)
assert (
dedent(ob).strip()
== dedent(
"""
IdentityOperator Id0(0);
AnnihilationOperator A0(0);
Operator Id = Id0;
Operator Ad0 = A0.hc();
"""
).strip()
)
def test_driven_tls(datadir):
hs = local_space('tls', namespace='sys', basis=('g', 'e'))
w = symbols(r'\omega', real=True)
pi = sympy.pi
cos = sympy.cos
t, T, E0 = symbols('t, T, E_0', real=True)
a = 0.16
blackman = 0.5 * (1 - a - cos(2*pi * t/T) + a*cos(4*pi*t/T))
H0 = Destroy(hs).dag() * Destroy(hs)
H1 = LocalSigma(hs, 'g', 'e') + LocalSigma(hs, 'e', 'g')
H = w*H0 + 0.5 * E0 * blackman * H1
circuit = SLH(identity_matrix(0), [], H)
num_vals = {w: 1.0, T:10.0, E0:1.0*2*np.pi}
# test qutip conversion
H_qutip, Ls = circuit.substitute(num_vals).HL_to_qutip(time_symbol=t)
assert len(Ls) == 0
assert len(H_qutip) == 3
times = np.linspace(0, num_vals[T], 201)
psi0 = qutip.basis(2, 1)
states = qutip.mesolve(H_qutip, psi0, times, [], []).states
pop0 = np.array(qutip_population(states, state=0))
pop1 = np.array(qutip_population(states, state=1))
datfile = os.path.join(datadir, 'pops.dat')
#print("DATFILE: %s" % datfile)
#np.savetxt(datfile, np.c_[times, pop0, pop1, pop0+pop1])
pop0_expect, pop1_expect = np.genfromtxt(datfile, unpack=True,
usecols=(1,2))
assert np.max(np.abs(pop0 - pop0_expect)) < 1e-12
assert np.max(np.abs(pop1 - pop1_expect)) < 1e-12
# Test QSD conversion
codegen = QSDCodeGen(circuit, num_vals=num_vals, time_symbol=t)
codegen.add_observable(LocalSigma(hs, 'e', 'e'), name='P_e')
psi0 = BasisKet(hs, 'e')
codegen.set_trajectories(psi_initial=psi0,
stepper='AdaptiveStep', dt=0.01,
nt_plot_step=5, n_plot_steps=200, n_trajectories=1)
scode = codegen.generate_code()
compile_cmd = _cmd_list_to_str(codegen._build_compile_cmd(
qsd_lib='$HOME/local/lib/libqsd.a',
qsd_headers='$HOME/local/include/qsd/',
executable='test_driven_tls', path='$HOME/bin',
compiler='mpiCC', compile_options='-g -O0'))
print(compile_cmd)
codefile = os.path.join(datadir, "test_driven_tls.cc")
#print("CODEFILE: %s" % codefile)
#with(open(codefile, 'w')) as out_fh:
#out_fh.write(scode)
#out_fh.write("\n")
with open(codefile) as in_fh:
scode_expected = in_fh.read()
assert scode.strip() == scode_expected.strip()
def Sec6_codegen(slh_Sec6, slh_Sec6_vals):
codegen = QSDCodeGen(circuit=slh_Sec6, num_vals=slh_Sec6_vals)
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
codegen.add_observable(Sp * A2 * Sm * Sp, name="X1")
codegen.add_observable(Sm * Sp * A2 * Sm, name="X2")
codegen.add_observable(A2, name="A2")
psi0 = BasisKet(0, 0)
psi1 = BasisKet(1, 0)
psi2 = BasisKet(2, 0)
codegen.set_trajectories(psi_initial=psi0 * psi1 * psi2,
stepper='AdaptiveStep',
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10)
return codegen
def Sec6_codegen(slh_Sec6, slh_Sec6_vals):
codegen = QSDCodeGen(circuit=slh_Sec6, num_vals=slh_Sec6_vals)
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
codegen.add_observable(Sp * A2 * Sm * Sp, name="X1")
codegen.add_observable(Sm * Sp * A2 * Sm, name="X2")
codegen.add_observable(A2, name="A2")
psi0 = BasisKet(0, 0)
psi1 = BasisKet(1, 0)
psi2 = BasisKet(2, 0)
codegen.set_trajectories(
psi_initial=psi0 * psi1 * psi2,
stepper="AdaptiveStep",
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10,
)
return codegen
def test_qsd_codegen_traj(slh_Sec6):
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
codegen = QSDCodeGen(circuit=slh_Sec6)
codegen.add_observable(Sp * A2 * Sm * Sp, name="X1")
codegen.add_observable(Sm * Sp * A2 * Sm, name="X2")
codegen.add_observable(A2, name="A2")
with pytest.raises(QSDCodeGenError) as excinfo:
scode = codegen._trajectory_lines(indent=0)
assert "No trajectories set up" in str(excinfo.value)
codegen.set_trajectories(psi_initial=None,
stepper='AdaptiveStep',
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10)
scode = codegen._trajectory_lines(indent=0)
assert dedent(scode).strip() == dedent(r'''
ACG gen(rndSeed); // random number generator
ComplexNormal rndm(&gen); // Complex Gaussian random numbers
double dt = 0.01;
int dtsperStep = 100;
int nOfSteps = 5;
int nTrajSave = 10;
int nTrajectory = 1;
int ReadFile = 0;
AdaptiveStep stepper(psiIni, H, nL, L);
Trajectory traj(psiIni, dt, stepper, &rndm);
traj.sumExp(nOfOut, outlist, flist , dtsperStep, nOfSteps,
nTrajectory, nTrajSave, ReadFile);
''').strip()
with pytest.raises(ValueError) as excinfo:
codegen.set_moving_basis(move_dofs=0,
delta=0.01,
width=2,
move_eps=0.01)
assert "move_dofs must be an integer >0" in str(excinfo.value)
with pytest.raises(ValueError) as excinfo:
codegen.set_moving_basis(move_dofs=4,
delta=0.01,
width=2,
move_eps=0.01)
assert "move_dofs must not be larger" in str(excinfo.value)
with pytest.raises(QSDCodeGenError) as excinfo:
codegen.set_moving_basis(move_dofs=3,
delta=0.01,
width=2,
move_eps=0.01)
assert "A moving basis cannot be used" in str(excinfo.value)
codegen.set_moving_basis(move_dofs=2, delta=0.01, width=2, move_eps=0.01)
scode = codegen._trajectory_lines(indent=0)
assert dedent(scode).strip() == dedent(r'''
ACG gen(rndSeed); // random number generator
ComplexNormal rndm(&gen); // Complex Gaussian random numbers
double dt = 0.01;
int dtsperStep = 100;
int nOfSteps = 5;
int nTrajSave = 10;
int nTrajectory = 1;
int ReadFile = 0;
AdaptiveStep stepper(psiIni, H, nL, L);
Trajectory traj(psiIni, dt, stepper, &rndm);
int move = 2;
double delta = 0.01;
int width = 2;
double moveEps = 0.01;
traj.sumExp(nOfOut, outlist, flist , dtsperStep, nOfSteps,
nTrajectory, nTrajSave, ReadFile, move,
delta, width, moveEps);
''').strip()
def test_qsd_codegen_initial_state(slh_Sec6):
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
psi_cav1 = lambda n: BasisKet(0, n)
psi_cav2 = lambda n: BasisKet(1, n)
psi_spin = lambda n: BasisKet(2, n)
psi_tot = lambda n, m, l: psi_cav1(n) * psi_cav2(m) * psi_spin(l)
BasisRegistry.registry = {} # reset
psi_cav1(0).space.dimension = 10
psi_cav2(0).space.dimension = 10
psi_spin(0).space.dimension = 2
codegen = QSDCodeGen(circuit=slh_Sec6)
codegen.add_observable(Sp * A2 * Sm * Sp, "X1.out")
codegen.add_observable(Sm * Sp * A2 * Sm, "X2.out")
codegen.add_observable(A2, "A2.out")
psi = (((psi_cav1(0) + psi_cav1(1)) / sympy.sqrt(2)) *
((psi_cav2(0) + psi_cav2(1)) / sympy.sqrt(2)) * psi_spin(0))
codegen.set_trajectories(psi_initial=psi,
stepper='AdaptiveStep',
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10)
scode = codegen._initial_state_lines(indent=0)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiT0List[3] = {(phiL0 + phiL3), (phiL1 + phiL4), phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State psiIni = (1.0L/2.0L) * (phiT0);
psiIni.normalize();
''').strip()
alpha = symbols('alpha')
psi = CoherentStateKet(0, alpha) * psi_cav2(0) * psi_spin(0)
codegen.set_trajectories(psi_initial=psi,
stepper='AdaptiveStep',
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10)
scode = codegen._initial_state_lines(indent=0)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 1
State phiL1(2,0,FIELD); // HS 2
State phiL2(10,alpha,FIELD); // HS 0
State phiT0List[3] = {phiL2, phiL0, phiL1};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State psiIni = phiT0;
psiIni.normalize();
''').strip()
psi = (psi_tot(1, 0, 0) + psi_tot(0, 1, 0)) / sympy.sqrt(2)
codegen.set_trajectories(psi_initial=psi,
stepper='AdaptiveStep',
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10)
scode = codegen._initial_state_lines(indent=0)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiT0List[3] = {phiL0, phiL4, phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State phiT1List[3] = {phiL3, phiL1, phiL2};
State phiT1(3, phiT1List); // HS 0 * HS 1 * HS 2
State psiIni = ((1.0L/2.0L)*sqrt(2)) * ((phiT0 + phiT1));
psiIni.normalize();
''').strip()
def test_define_atomic_kets(slh_Sec6):
codegen = QSDCodeGen(circuit=slh_Sec6)
psi_cav1 = lambda n: BasisKet(0, n)
psi_cav2 = lambda n: BasisKet(1, n)
psi_spin = lambda n: BasisKet(2, n)
psi_tot = lambda n, m, l: psi_cav1(n) * psi_cav2(m) * psi_spin(l)
with pytest.raises(QSDCodeGenError) as excinfo:
lines = codegen._define_atomic_kets(psi_cav1(0))
assert "not in the Hilbert space of the Hamiltonian" in str(excinfo.value)
BasisRegistry.registry = {} # reset
with pytest.raises(QSDCodeGenError) as excinfo:
lines = codegen._define_atomic_kets(psi_tot(0, 0, 0))
assert "Unknown dimension for Hilbert space" in str(excinfo.value)
psi_cav1(0).space.dimension = 10
psi_cav2(0).space.dimension = 10
psi_spin(0).space.dimension = 2
lines = codegen._define_atomic_kets(psi_tot(0, 0, 0))
scode = "\n".join(lines)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiT0List[3] = {phiL0, phiL1, phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
''').strip()
psi = (((psi_cav1(0) + psi_cav1(1)) / sympy.sqrt(2)) *
((psi_cav2(0) + psi_cav2(1)) / sympy.sqrt(2)) * psi_spin(0))
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiT0List[3] = {(phiL0 + phiL3), (phiL1 + phiL4), phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
''').strip()
for phi in (list(find_kets(psi, cls=LocalKet)) +
list(find_kets(psi, cls=TensorKet))):
assert phi in codegen._qsd_states
alpha = symbols('alpha')
psi = CoherentStateKet(0, alpha) * psi_cav2(0) * psi_spin(0)
with pytest.raises(TypeError) as excinfo:
lines = codegen._define_atomic_kets(psi)
assert "neither a known symbol nor a complex number" in str(excinfo.value)
codegen.syms.add(alpha)
codegen._update_var_names()
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 1
State phiL1(2,0,FIELD); // HS 2
State phiL2(10,alpha,FIELD); // HS 0
State phiT0List[3] = {phiL2, phiL0, phiL1};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
''').strip()
for phi in (list(find_kets(psi, cls=LocalKet)) +
list(find_kets(psi, cls=TensorKet))):
assert phi in codegen._qsd_states
psi = CoherentStateKet(0, 1j) * psi_cav2(0) * psi_spin(0)
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 1
State phiL1(2,0,FIELD); // HS 2
Complex phiL2_alpha(0,1);
State phiL2(10,phiL2_alpha,FIELD); // HS 0
State phiT0List[3] = {phiL2, phiL0, phiL1};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
''').strip()
for phi in (list(find_kets(psi, cls=LocalKet)) +
list(find_kets(psi, cls=TensorKet))):
assert phi in codegen._qsd_states
psi = psi_tot(1, 0, 0) + psi_tot(0, 1, 0) + psi_tot(0, 0, 1)
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert scode == dedent(r'''
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiL5(2,1,FIELD); // HS 2
State phiT0List[3] = {phiL0, phiL1, phiL5};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State phiT1List[3] = {phiL0, phiL4, phiL2};
State phiT1(3, phiT1List); // HS 0 * HS 1 * HS 2
State phiT2List[3] = {phiL3, phiL1, phiL2};
State phiT2(3, phiT2List); // HS 0 * HS 1 * HS 2
''').strip()
for phi in (list(find_kets(psi, cls=LocalKet)) +
list(find_kets(psi, cls=TensorKet))):
assert phi in codegen._qsd_states
def test_qsd_codegen_observables(caplog, slh_Sec6, slh_Sec6_vals):
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
codegen = QSDCodeGen(circuit=slh_Sec6, num_vals=slh_Sec6_vals)
with pytest.raises(QSDCodeGenError) as excinfo:
scode = codegen._observables_lines(indent=0)
assert "Must register at least one observable" in str(excinfo.value)
codegen.add_observable(Sp * A2 * Sm * Sp)
name = 'a_1 sigma_10^[2]'
filename = codegen._observables[name][1]
assert filename == 'a_1_sigma_10_2.out'
codegen.add_observable(Sp * A2 * Sm * Sp)
assert 'Overwriting existing operator' in caplog.text()
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(Sp * A2 * A2 * Sm * Sp)
assert "longer than limit" in str(exc_info.value)
name = 'A2^2'
codegen.add_observable(Sp * A2 * A2 * Sm * Sp, name=name)
assert name in codegen._observables
filename = codegen._observables[name][1]
assert filename == 'A2_2.out'
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name='A2_2')
assert "Cannot generate unique filename" in str(exc_info.value)
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name="A2\t2")
assert "invalid characters" in str(exc_info.value)
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name="A" * 100)
assert "longer than limit" in str(exc_info.value)
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name="()")
assert "Cannot generate filename" in str(exc_info.value)
codegen = QSDCodeGen(circuit=slh_Sec6, num_vals=slh_Sec6_vals)
codegen.add_observable(Sp * A2 * Sm * Sp, name="X1")
codegen.add_observable(Sm * Sp * A2 * Sm, name="X2")
assert codegen._observables["X2"] == (Sm * Sp * A2 * Sm, 'X2.out')
codegen.add_observable(A2, name="A2")
assert codegen._observables["A2"] == (A2, 'A2.out')
scode = codegen._observables_lines(indent=0)
assert dedent(scode).strip() == dedent(r'''
const int nOfOut = 3;
Operator outlist[nOfOut] = {
(A1 * S2_1_0),
(A1 * S2_0_1),
A1
};
char *flist[nOfOut] = {"X1.out", "X2.out", "A2.out"};
int pipe[4] = {1,2,3,4};
''').strip()
# Note how the observables have been simplified
assert Sp * A2 * Sm * Sp == Sp * A2
assert codegen._operator_str(Sp * A2) == '(A1 * S2_1_0)'
assert Sm * Sp * A2 * Sm == Sm * A2
assert codegen._operator_str(Sm * A2) == '(A1 * S2_0_1)'
# If the oberservables introduce new operators or symbols, these should
# extend the existing ones
P1 = LocalSigma(2, 1, 1)
zeta = symbols("zeta", real=True)
codegen.add_observable(zeta * P1, name="P1")
assert P1 in codegen._local_ops
assert str(codegen._qsd_ops[P1]) == 'S2_1_1'
assert zeta in codegen.syms
codegen.num_vals.update({zeta: 1.0})
assert 'zeta' in codegen._parameters_lines(indent=0)
assert str(codegen._qsd_ops[P1]) in codegen._operator_basis_lines(indent=0)
assert Sp * A2 in set(codegen.observables)
assert Sm * A2 in set(codegen.observables)
assert zeta * P1 in set(codegen.observables)
assert list(codegen.observable_names) == ['X1', 'X2', 'A2', 'P1']
assert codegen.get_observable('X1') == Sp * A2 * Sm * Sp
def test_qsd_codegen_observables(caplog, slh_Sec6, slh_Sec6_vals):
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
codegen = QSDCodeGen(circuit=slh_Sec6, num_vals=slh_Sec6_vals)
with pytest.raises(QSDCodeGenError) as excinfo:
scode = codegen._observables_lines(indent=0)
assert "Must register at least one observable" in str(excinfo.value)
codegen.add_observable(Sp * A2 * Sm * Sp)
name = "a_1 sigma_10^[2]"
filename = codegen._observables[name][1]
assert filename == "a_1_sigma_10_2.out"
codegen.add_observable(Sp * A2 * Sm * Sp)
assert "Overwriting existing operator" in caplog.text()
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(Sp * A2 * A2 * Sm * Sp)
assert "longer than limit" in str(exc_info.value)
name = "A2^2"
codegen.add_observable(Sp * A2 * A2 * Sm * Sp, name=name)
assert name in codegen._observables
filename = codegen._observables[name][1]
assert filename == "A2_2.out"
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name="A2_2")
assert "Cannot generate unique filename" in str(exc_info.value)
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name="A2\t2")
assert "invalid characters" in str(exc_info.value)
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name="A" * 100)
assert "longer than limit" in str(exc_info.value)
with pytest.raises(ValueError) as exc_info:
codegen.add_observable(A2, name="()")
assert "Cannot generate filename" in str(exc_info.value)
codegen = QSDCodeGen(circuit=slh_Sec6, num_vals=slh_Sec6_vals)
codegen.add_observable(Sp * A2 * Sm * Sp, name="X1")
codegen.add_observable(Sm * Sp * A2 * Sm, name="X2")
assert codegen._observables["X2"] == (Sm * Sp * A2 * Sm, "X2.out")
codegen.add_observable(A2, name="A2")
assert codegen._observables["A2"] == (A2, "A2.out")
scode = codegen._observables_lines(indent=0)
assert (
dedent(scode).strip()
== dedent(
r"""
const int nOfOut = 3;
Operator outlist[nOfOut] = {
(A1 * S2_1_0),
(A1 * S2_0_1),
A1
};
char *flist[nOfOut] = {"X1.out", "X2.out", "A2.out"};
int pipe[4] = {1,2,3,4};
"""
).strip()
)
# Note how the observables have been simplified
assert Sp * A2 * Sm * Sp == Sp * A2
assert codegen._operator_str(Sp * A2) == "(A1 * S2_1_0)"
assert Sm * Sp * A2 * Sm == Sm * A2
assert codegen._operator_str(Sm * A2) == "(A1 * S2_0_1)"
# If the oberservables introduce new operators or symbols, these should
# extend the existing ones
P1 = LocalSigma(2, 1, 1)
zeta = symbols("zeta", real=True)
codegen.add_observable(zeta * P1, name="P1")
assert P1 in codegen._local_ops
assert str(codegen._qsd_ops[P1]) == "S2_1_1"
assert zeta in codegen.syms
codegen.num_vals.update({zeta: 1.0})
assert "zeta" in codegen._parameters_lines(indent=0)
assert str(codegen._qsd_ops[P1]) in codegen._operator_basis_lines(indent=0)
assert Sp * A2 in set(codegen.observables)
assert Sm * A2 in set(codegen.observables)
assert zeta * P1 in set(codegen.observables)
assert list(codegen.observable_names) == ["X1", "X2", "A2", "P1"]
assert codegen.get_observable("X1") == Sp * A2 * Sm * Sp
def test_ordered_tensor_operands(slh_Sec6):
codegen = QSDCodeGen(circuit=slh_Sec6)
psi = BasisKet(0, 0) * BasisKet(1, 0)
assert list(psi.operands) == list(codegen._ordered_tensor_operands(psi))
psi = TensorKet(BasisKet(1, 0), BasisKet(0, 0))
assert list(reversed(psi.operands)) == list(codegen._ordered_tensor_operands(psi))
def test_define_atomic_kets(slh_Sec6):
codegen = QSDCodeGen(circuit=slh_Sec6)
psi_cav1 = lambda n: BasisKet(0, n)
psi_cav2 = lambda n: BasisKet(1, n)
psi_spin = lambda n: BasisKet(2, n)
psi_tot = lambda n, m, l: psi_cav1(n) * psi_cav2(m) * psi_spin(l)
with pytest.raises(QSDCodeGenError) as excinfo:
lines = codegen._define_atomic_kets(psi_cav1(0))
assert "not in the Hilbert space of the Hamiltonian" in str(excinfo.value)
BasisRegistry.registry = {} # reset
with pytest.raises(QSDCodeGenError) as excinfo:
lines = codegen._define_atomic_kets(psi_tot(0, 0, 0))
assert "Unknown dimension for Hilbert space" in str(excinfo.value)
psi_cav1(0).space.dimension = 10
psi_cav2(0).space.dimension = 10
psi_spin(0).space.dimension = 2
lines = codegen._define_atomic_kets(psi_tot(0, 0, 0))
scode = "\n".join(lines)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiT0List[3] = {phiL0, phiL1, phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
"""
).strip()
)
psi = ((psi_cav1(0) + psi_cav1(1)) / sympy.sqrt(2)) * ((psi_cav2(0) + psi_cav2(1)) / sympy.sqrt(2)) * psi_spin(0)
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiT0List[3] = {(phiL0 + phiL3), (phiL1 + phiL4), phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
"""
).strip()
)
for phi in list(find_kets(psi, cls=LocalKet)) + list(find_kets(psi, cls=TensorKet)):
assert phi in codegen._qsd_states
alpha = symbols("alpha")
psi = CoherentStateKet(0, alpha) * psi_cav2(0) * psi_spin(0)
with pytest.raises(TypeError) as excinfo:
lines = codegen._define_atomic_kets(psi)
assert "neither a known symbol nor a complex number" in str(excinfo.value)
codegen.syms.add(alpha)
codegen._update_var_names()
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 1
State phiL1(2,0,FIELD); // HS 2
State phiL2(10,alpha,FIELD); // HS 0
State phiT0List[3] = {phiL2, phiL0, phiL1};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
"""
).strip()
)
for phi in list(find_kets(psi, cls=LocalKet)) + list(find_kets(psi, cls=TensorKet)):
assert phi in codegen._qsd_states
psi = CoherentStateKet(0, 1j) * psi_cav2(0) * psi_spin(0)
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 1
State phiL1(2,0,FIELD); // HS 2
Complex phiL2_alpha(0,1);
State phiL2(10,phiL2_alpha,FIELD); // HS 0
State phiT0List[3] = {phiL2, phiL0, phiL1};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
"""
).strip()
)
for phi in list(find_kets(psi, cls=LocalKet)) + list(find_kets(psi, cls=TensorKet)):
assert phi in codegen._qsd_states
psi = psi_tot(1, 0, 0) + psi_tot(0, 1, 0) + psi_tot(0, 0, 1)
lines = codegen._define_atomic_kets(psi)
scode = "\n".join(lines)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiL5(2,1,FIELD); // HS 2
State phiT0List[3] = {phiL0, phiL1, phiL5};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State phiT1List[3] = {phiL0, phiL4, phiL2};
State phiT1(3, phiT1List); // HS 0 * HS 1 * HS 2
State phiT2List[3] = {phiL3, phiL1, phiL2};
State phiT2(3, phiT2List); // HS 0 * HS 1 * HS 2
"""
).strip()
)
for phi in list(find_kets(psi, cls=LocalKet)) + list(find_kets(psi, cls=TensorKet)):
assert phi in codegen._qsd_states
def test_qsd_codegen_initial_state(slh_Sec6):
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
psi_cav1 = lambda n: BasisKet(0, n)
psi_cav2 = lambda n: BasisKet(1, n)
psi_spin = lambda n: BasisKet(2, n)
psi_tot = lambda n, m, l: psi_cav1(n) * psi_cav2(m) * psi_spin(l)
BasisRegistry.registry = {} # reset
psi_cav1(0).space.dimension = 10
psi_cav2(0).space.dimension = 10
psi_spin(0).space.dimension = 2
codegen = QSDCodeGen(circuit=slh_Sec6)
codegen.add_observable(Sp * A2 * Sm * Sp, "X1.out")
codegen.add_observable(Sm * Sp * A2 * Sm, "X2.out")
codegen.add_observable(A2, "A2.out")
psi = ((psi_cav1(0) + psi_cav1(1)) / sympy.sqrt(2)) * ((psi_cav2(0) + psi_cav2(1)) / sympy.sqrt(2)) * psi_spin(0)
codegen.set_trajectories(
psi_initial=psi,
stepper="AdaptiveStep",
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10,
)
scode = codegen._initial_state_lines(indent=0)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiT0List[3] = {(phiL0 + phiL3), (phiL1 + phiL4), phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State psiIni = (1.0L/2.0L) * (phiT0);
psiIni.normalize();
"""
).strip()
)
alpha = symbols("alpha")
psi = CoherentStateKet(0, alpha) * psi_cav2(0) * psi_spin(0)
codegen.set_trajectories(
psi_initial=psi,
stepper="AdaptiveStep",
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10,
)
scode = codegen._initial_state_lines(indent=0)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 1
State phiL1(2,0,FIELD); // HS 2
State phiL2(10,alpha,FIELD); // HS 0
State phiT0List[3] = {phiL2, phiL0, phiL1};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State psiIni = phiT0;
psiIni.normalize();
"""
).strip()
)
psi = (psi_tot(1, 0, 0) + psi_tot(0, 1, 0)) / sympy.sqrt(2)
codegen.set_trajectories(
psi_initial=psi,
stepper="AdaptiveStep",
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10,
)
scode = codegen._initial_state_lines(indent=0)
assert (
scode
== dedent(
r"""
State phiL0(10,0,FIELD); // HS 0
State phiL1(10,0,FIELD); // HS 1
State phiL2(2,0,FIELD); // HS 2
State phiL3(10,1,FIELD); // HS 0
State phiL4(10,1,FIELD); // HS 1
State phiT0List[3] = {phiL0, phiL4, phiL2};
State phiT0(3, phiT0List); // HS 0 * HS 1 * HS 2
State phiT1List[3] = {phiL3, phiL1, phiL2};
State phiT1(3, phiT1List); // HS 0 * HS 1 * HS 2
State psiIni = ((1.0L/2.0L)*sqrt(2)) * ((phiT0 + phiT1));
psiIni.normalize();
"""
).strip()
)
def test_qsd_codegen_traj(slh_Sec6):
A2 = Destroy(1)
Sp = LocalSigma(2, 1, 0)
Sm = Sp.dag()
codegen = QSDCodeGen(circuit=slh_Sec6)
codegen.add_observable(Sp * A2 * Sm * Sp, name="X1")
codegen.add_observable(Sm * Sp * A2 * Sm, name="X2")
codegen.add_observable(A2, name="A2")
with pytest.raises(QSDCodeGenError) as excinfo:
scode = codegen._trajectory_lines(indent=0)
assert "No trajectories set up" in str(excinfo.value)
codegen.set_trajectories(
psi_initial=None,
stepper="AdaptiveStep",
dt=0.01,
nt_plot_step=100,
n_plot_steps=5,
n_trajectories=1,
traj_save=10,
)
scode = codegen._trajectory_lines(indent=0)
assert (
dedent(scode).strip()
== dedent(
r"""
ACG gen(rndSeed); // random number generator
ComplexNormal rndm(&gen); // Complex Gaussian random numbers
double dt = 0.01;
int dtsperStep = 100;
int nOfSteps = 5;
int nTrajSave = 10;
int nTrajectory = 1;
int ReadFile = 0;
AdaptiveStep stepper(psiIni, H, nL, L);
Trajectory traj(psiIni, dt, stepper, &rndm);
traj.sumExp(nOfOut, outlist, flist , dtsperStep, nOfSteps,
nTrajectory, nTrajSave, ReadFile);
"""
).strip()
)
with pytest.raises(ValueError) as excinfo:
codegen.set_moving_basis(move_dofs=0, delta=0.01, width=2, move_eps=0.01)
assert "move_dofs must be an integer >0" in str(excinfo.value)
with pytest.raises(ValueError) as excinfo:
codegen.set_moving_basis(move_dofs=4, delta=0.01, width=2, move_eps=0.01)
assert "move_dofs must not be larger" in str(excinfo.value)
with pytest.raises(QSDCodeGenError) as excinfo:
codegen.set_moving_basis(move_dofs=3, delta=0.01, width=2, move_eps=0.01)
assert "A moving basis cannot be used" in str(excinfo.value)
codegen.set_moving_basis(move_dofs=2, delta=0.01, width=2, move_eps=0.01)
scode = codegen._trajectory_lines(indent=0)
assert (
dedent(scode).strip()
== dedent(
r"""
ACG gen(rndSeed); // random number generator
ComplexNormal rndm(&gen); // Complex Gaussian random numbers
double dt = 0.01;
int dtsperStep = 100;
int nOfSteps = 5;
int nTrajSave = 10;
int nTrajectory = 1;
int ReadFile = 0;
AdaptiveStep stepper(psiIni, H, nL, L);
Trajectory traj(psiIni, dt, stepper, &rndm);
int move = 2;
double delta = 0.01;
int width = 2;
double moveEps = 0.01;
traj.sumExp(nOfOut, outlist, flist , dtsperStep, nOfSteps,
nTrajectory, nTrajSave, ReadFile, move,
delta, width, moveEps);
"""
).strip()
)