'type': 'GaussLaguerreQR',
'order': 5,
'a': -0.5
}
}
}
# Iterate over all blocks
for blockid in blocks_to_handle:
print("Computing the autocorrelation in data block '"+str(blockid)+"'")
if iom.has_autocorrelation(blockid=blockid):
print("Datablock '"+str(blockid)+"' already contains autocorrelation data, silent skip.")
continue
# NOTE: Add new algorithms here
if iom.has_wavepacket(blockid=blockid):
import AutocorrelationWavepacket
AutocorrelationWavepacket.compute_autocorrelation_hawp(iom, PA, blockid=blockid)
elif iom.has_wavefunction(blockid=blockid):
import AutocorrelationWavefunction
AutocorrelationWavefunction.compute_autocorrelation(iom, PA, blockid=blockid)
elif iom.has_inhomogwavepacket(blockid=blockid):
import AutocorrelationWavepacket
AutocorrelationWavepacket.compute_autocorrelation_inhawp(iom, PA, blockid=blockid)
else:
print("Warning: Not computing any autocorrelations in block '"+str(blockid)+"'!")
iom.finalize()
'type': 'GaussLaguerreQR',
'order': 5,
'a': -0.5
}
}
}
# Iterate over all blocks
for blockid in blocks_to_handle:
print("Computing the autocorrelation in data block '"+str(blockid)+"'")
if iom.has_autocorrelation(blockid=blockid):
print("Datablock '"+str(blockid)+"' already contains autocorrelation data, silent skip.")
continue
# NOTE: Add new algorithms here
if iom.has_wavepacket(blockid=blockid):
import AutocorrelationWavepacket
AutocorrelationWavepacket.compute_autocorrelation_hawp(iom, PA, blockid=blockid, eigentrafo=False)
elif iom.has_wavefunction(blockid=blockid):
import AutocorrelationWavefunction
AutocorrelationWavefunction.compute_autocorrelation(iom, PA, blockid=blockid, eigentrafo=False)
elif iom.has_inhomogwavepacket(blockid=blockid):
import AutocorrelationWavepacket
AutocorrelationWavepacket.compute_autocorrelation_inhawp(iom, PA, blockid=blockid, eigentrafo=False)
else:
print("Warning: Not computing any autocorrelations in block '"+str(blockid)+"'!")
iom.finalize()
