def create_simulation(p):
p_quenched = p.copy()
p_quenched.g = 0.2
system = HarmonicTrap(p, x)
system_quenched = HarmonicTrap(p_quenched, x)
sim = mlxtk.Simulation("harmonic_trap")
sim += mlxtk.tasks.CreateOperator(
"hamiltonian_1b.opr",
system.get_hamiltonian_1b(),
)
sim += mlxtk.tasks.CreateMBOperator(
"hamiltonian.mb_opr",
system.get_hamiltonian(),
)
sim += mlxtk.tasks.CreateMBOperator(
"hamiltonian_quenched.mb_opr",
system_quenched.get_hamiltonian(),
)
sim += mlxtk.tasks.CreateMBOperator("com.mb_opr",
system.get_com_operator())
sim += mlxtk.tasks.CreateMBOperator(
"com_2.mb_opr",
system.get_com_operator_squared(),
)
sim += mlxtk.tasks.MCTDHBCreateWaveFunction(
"initial.wfn",
"hamiltonian_1b.opr",
p.N,
p.m,
)
sim += mlxtk.tasks.ImprovedRelax(
"gs_relax",
"initial.wfn",
"hamiltonian.mb_opr",
"1",
tfinal=1000.0,
dt=0.01,
)
sim += mlxtk.tasks.Propagate(
"propagate",
"gs_relax/final.wfn",
"hamiltonian_quenched.mb_opr",
tfinal=5.0,
dt=0.05,
psi=True,
)
sim += mlxtk.tasks.ComputeExpectationValue("propagate/psi",
"com.mb_opr")
sim += mlxtk.tasks.ComputeExpectationValue("propagate/psi",
"com_2.mb_opr")
sim += mlxtk.tasks.ComputeVariance("propagate/com", "propagate/com_2")
return sim
system = HarmonicTrap(parameters, grid)
system_quenched = HarmonicTrap(parameters_quenched, grid)
sim = mlxtk.Simulation("harmonic_trap")
sim += tasks.CreateOperator("hamiltonian_1b.opr",
system.get_hamiltonian_1b())
sim += tasks.CreateMBOperator("hamiltonian.mb_opr",
system.get_hamiltonian())
sim += tasks.CreateMBOperator(
"hamiltonian_quenched.mb_opr",
system_quenched.get_hamiltonian(),
)
sim += tasks.CreateMBOperator("com.mb_opr",
system_quenched.get_com_operator())
sim += tasks.CreateMBOperator(
"com_2.mb_opr",
system_quenched.get_com_operator_squared(),
)
sim += tasks.MCTDHBCreateWaveFunction(
"initial.wfn",
"hamiltonian_1b.opr",
parameters.N,
parameters.m,
)
sim += tasks.ImprovedRelax(
"gs_relax",
"initial.wfn",
"hamiltonian.mb_opr",