except IndexError:
iom.open_file()
# Iterate over all blocks
for blockid in iom.get_block_ids():
print("Computing the norms in data block '"+str(blockid)+"'")
if iom.has_norm(blockid=blockid):
print("Datablock '"+str(blockid)+"' already contains norm data, silent skip.")
continue
# TODO: Add new algorithms here
# We test for an inhomogeneous wavepacket next
if iom.has_inhomogwavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_inhawp(iom, blockid=blockid)
# We test for a homogeneous wavepacket next
elif iom.has_wavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_hawp(iom, blockid=blockid)
# We have no wavepacket, then we try for a wavefunction
elif iom.has_wavefunction(blockid=blockid):
import NormWavefunction
NormWavefunction.compute_norm(iom, blockid=blockid)
# If there is also no wavefunction, then there is nothing to compute the norm
else:
print("Warning: Not computing any norm in block '"+str(blockid)+"'!")
iom.finalize()
# Which blocks to handle
if "all" in args.blockid:
blocks_to_handle = iom.get_block_ids()
else:
blocks_to_handle = map(int, args.blockid)
# Iterate over all blocks
for blockid in blocks_to_handle:
print("Computing the norms in data block '"+str(blockid)+"'")
if iom.has_norm(blockid=blockid):
print("Datablock '"+str(blockid)+"' already contains norm data, silent skip.")
continue
# NOTE: Add new algorithms here
if iom.has_wavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_hawp(iom, blockid=blockid, eigentrafo=False)
elif iom.has_wavefunction(blockid=blockid):
import NormWavefunction
NormWavefunction.compute_norm(iom, blockid=blockid, eigentrafo=False)
elif iom.has_inhomogwavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_inhawp(iom, blockid=blockid, eigentrafo=False)
else:
print("Warning: Not computing any norm in block '"+str(blockid)+"'!")
iom.finalize()
print("Datablock '" + str(blockid) +
"' already contains norm data, silent skip.")
continue
# TODO: Add new algorithms here
# We test for an inhomogeneous wavepacket next
if iom.has_inhomogwavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_inhawp(iom,
blockid=blockid,
eigentrafo=False)
# We test for a homogeneous wavepacket next
elif iom.has_wavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_hawp(iom,
blockid=blockid,
eigentrafo=False)
# We have no wavepacket, then we try for a wavefunction
elif iom.has_wavefunction(blockid=blockid):
import NormWavefunction
NormWavefunction.compute_norm(iom,
blockid=blockid,
eigentrafo=False)
# If there is also no wavefunction, then there is nothing to compute the norm
else:
print("Warning: Not computing any norm in block '" + str(blockid) +
"'!")
iom.finalize()
# Iterate over all blocks
for blockid in iom.get_block_ids():
print("Computing the norms in data block '" + str(blockid) + "'")
if iom.has_norm(blockid=blockid):
print("Datablock '" + str(blockid) +
"' already contains norm data, silent skip.")
continue
# TODO: Add new algorithms here
# We test for an inhomogeneous wavepacket next
if iom.has_inhomogwavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_inhawp(iom, blockid=blockid)
# We test for a homogeneous wavepacket next
elif iom.has_wavepacket(blockid=blockid):
import NormWavepacket
NormWavepacket.compute_norm_hawp(iom, blockid=blockid)
# We have no wavepacket, then we try for a wavefunction
elif iom.has_wavefunction(blockid=blockid):
import NormWavefunction
NormWavefunction.compute_norm(iom, blockid=blockid)
# If there is also no wavefunction, then there is nothing to compute the norm
else:
print("Warning: Not computing any norm in block '" + str(blockid) +
"'!")
iom.finalize()