def compute_autocorrelation_inhawp(iom, obsconfig, blockid=0, eigentrafo=True):
"""Compute the autocorrelation of a wavepacket timeseries.
This function is for inhomogeneous wavepackets.
:param iom: An :py:class:`IOManager` instance providing the simulation data.
:param obsconfig: Configuration parameters describing f.e. the inner product to use.
:type obsconfig: A :py:class:`ParameterProvider` instance.
:param blockid: The data block from which the values are read.
:type blockid: Integer, Default is ``0``
:param eigentrafo: Whether to make a transformation into the eigenbasis.
:type eigentrafo: Boolean, default is ``True``.
"""
parameters = iom.load_parameters()
# Number of time steps we saved
timesteps = iom.load_inhomogwavepacket_timegrid(blockid=blockid)
nrtimesteps = timesteps.shape[0]
# Basis transformator
if eigentrafo is True:
# The potential used
Potential = BlockFactory().create_potential(parameters)
BT = BasisTransformationHAWP(Potential)
# We want to save autocorrelations, thus add a data slot to the data file
iom.add_autocorrelation(parameters, timeslots=nrtimesteps, blockid=blockid)
# Initialize a Hagedorn wavepacket with the data
descr = iom.load_inhomogwavepacket_description(blockid=blockid)
HAWPo = BlockFactory().create_wavepacket(descr)
HAWPt = BlockFactory().create_wavepacket(descr)
if eigentrafo is True:
BT.set_matrix_builder(HAWPo.get_innerproduct())
# Basis shapes
BS_descr = iom.load_inhomogwavepacket_basisshapes(blockid=blockid)
BS = {}
for ahash, descr in BS_descr.iteritems():
BS[ahash] = BlockFactory().create_basis_shape(descr)
# Comfigure the original wavepacket
# Retrieve simulation data
params = iom.load_wavepacket_parameters(timestep=0, blockid=blockid)
hashes, coeffs = iom.load_wavepacket_coefficients(timestep=0, get_hashes=True, blockid=blockid)
# Configure the wavepacket
HAWPo.set_parameters(params)
HAWPo.set_basis_shapes([ BS[int(ha)] for ha in hashes ])
HAWPo.set_coefficients(coeffs)
# Set up the innerproduct for solving the integrals <phi_0 | phi_t>
IP = BlockFactory().create_inner_product(obsconfig["innerproduct"])
# Iterate over all timesteps
for i, step in enumerate(timesteps):
print(" Computing autocorrelations of timestep "+str(step))
# Retrieve simulation data
params = iom.load_inhomogwavepacket_parameters(timestep=step, blockid=blockid)
hashes, coeffs = iom.load_inhomogwavepacket_coefficients(timestep=step, get_hashes=True, blockid=blockid)
# Configure the wavepacket
HAWPt.set_parameters(params)
HAWPt.set_basis_shapes([ BS[int(ha)] for ha in hashes ])
HAWPt.set_coefficients(coeffs)
# Transform to the eigenbasis.
if eigentrafo is True:
BT.transform_to_eigen(HAWPt)
# Measure autocorrelations in the eigenbasis
acs = IP.quadrature(HAWPo, HAWPt, diagonal=True)
# Save the autocorrelations
iom.save_autocorrelation(acs, timestep=step, blockid=blockid)
