def finite_dmrg_step(growing_block, system, left_block_size,
number_of_states_kept):
"""Performs one step of the finite DMRG algorithm.
Calculates the ground state of a system with a given size, then
performs the DMRG transformation on the operators of *one* block,
therefore increasing by one site the number of sites encoded in the
Hilbert space of this block, and reset the block in the system to be
the new, enlarged, truncated ones. The other block is read out from
the previous sweep.
Parameters
----------
growing_block : a string.
The block which is growing. It must be 'left' or 'right'.
system : a System object.
The system you want to do the calculation on. This function
assumes that you have set the Hamiltonian to something.
left_block_size : an int.
The number of sites in the left block in the *current* step, not
including the single site.
number_of_states_kept : an int.
The number of states you want to keep in each block after the
truncation. If the `number_of_states_kept` is smaller than the
dimension of the current Hilbert space block, all states are kept.
Returns
-------
energy : a double.
The energy at this step.
entropy : a double.
The Von Neumann entropy for the cut at this step.
truncation_error : a double.
The truncation error, i.e. the sum of the discarded eigenvalues of
the reduced density matrix.
Raises
------
DMRGException
if `growing_side` is not 'left' or 'right'.
Notes
-----
This asymmetric version of the algorithm when you just grow one of the
block while keeping the other one-site long, is obviously less precise
than the symmetric version when you grow both sides. However as we are
going to sweep next using the finite algorithm we don't care much
about precision at this stage.
"""
model.set_hamiltonian(system)
ground_state_energy, ground_state_wf = system.calculate_ground_state()
if growing_block not in ('left', 'right'):
raise DMRGException('Growing side must be left or right.')
entropy, truncation_error = grow_block_by_one_site(growing_block,
ground_state_wf, system,
number_of_states_kept)
system.set_block_to_old_version(left_block_size)
return ground_state_energy, entropy, truncation_error
def finite_dmrg_step(growing_block, system, left_block_size, number_of_states_kept):
"""Performs one step of the finite DMRG algorithm.
Calculates the ground state of a system with a given size, then
performs the DMRG transformation on the operators of *one* block,
therefore increasing by one site the number of sites encoded in the
Hilbert space of this block, and reset the block in the system to be
the new, enlarged, truncated ones. The other block is read out from
the previous sweep.
Parameters
----------
growing_block : a string.
The block which is growing. It must be 'left' or 'right'.
system : a System object.
The system you want to do the calculation on. This function
assumes that you have set the Hamiltonian to something.
left_block_size : an int.
The number of sites in the left block in the *current* step, not
including the single site.
number_of_states_kept : an int.
The number of states you want to keep in each block after the
truncation. If the `number_of_states_kept` is smaller than the
dimension of the current Hilbert space block, all states are kept.
Returns
-------
energy : a double.
The energy at this step.
entropy : a double.
The Von Neumann entropy for the cut at this step.
truncation_error : a double.
The truncation error, i.e. the sum of the discarded eigenvalues of
the reduced density matrix.
Raises
------
DMRGException
if `growing_side` is not 'left' or 'right'.
Notes
-----
This asymmetric version of the algorithm when you just grow one of the
block while keeping the other one-site long, is obviously less precise
than the symmetric version when you grow both sides. However as we are
going to sweep next using the finite algorithm we don't care much
about precision at this stage.
"""
model.set_hamiltonian(system)
ground_state_energy, ground_state_wf = system.calculate_ground_state()
if growing_block not in ("left", "right"):
raise DMRGException("Growing side must be left or right.")
entropy, truncation_error = grow_block_by_one_site(growing_block, ground_state_wf, system, number_of_states_kept)
system.set_block_to_old_version(left_block_size)
return ground_state_energy, entropy, truncation_error
def infinite_dmrg_step(system, number_of_states_kept):
"""Performs one step of the (asymmetric) infinite DMRG algorithm.
Calculates the ground state of a system with a given size, then
performs the DMRG transformation on the operators of *one* block,
therefore increasing by one site the number of sites encoded in the
Hilbert space of this block, and reset the block in the system to be
the new, enlarged, truncated ones. The other block is kept one-site
long.
Parameters
----------
system : a System object.
The system you want to do the calculation on. This function
assumes that you have set the Hamiltonian to something.
number_of_states_kept : an int.
The number of states you want to keep in each block after the
truncation. If the `number_of_states_kept` is smaller than the
dimension of the current Hilbert space block, all states are kept.
Returns
-------
energy : a double.
The energy for the `current_size`.
entropy : a double.
The Von Neumann entropy for the cut that splits the chain into two
equal halves.
truncation_error : a double.
The truncation error, i.e. the sum of the discarded eigenvalues of
the reduced density matrix.
Notes
-----
This asymmetric version of the algorithm when you just grow one of the
block while keeping the other one-site long, is obviously less precise
than the symmetric version when you grow both sides. However as we are
going to sweep next using the finite algorithm we don't care much
about precision at this stage.
"""
model.set_hamiltonian(system)
ground_state_energy, ground_state_wf = system.calculate_ground_state()
entropy, truncation_error = grow_block_by_one_site('left', ground_state_wf,
system,
number_of_states_kept)
return ground_state_energy, entropy, truncation_error
def infinite_dmrg_step(system, number_of_states_kept):
"""Performs one step of the (asymmetric) infinite DMRG algorithm.
Calculates the ground state of a system with a given size, then
performs the DMRG transformation on the operators of *one* block,
therefore increasing by one site the number of sites encoded in the
Hilbert space of this block, and reset the block in the system to be
the new, enlarged, truncated ones. The other block is kept one-site
long.
Parameters
----------
system : a System object.
The system you want to do the calculation on. This function
assumes that you have set the Hamiltonian to something.
number_of_states_kept : an int.
The number of states you want to keep in each block after the
truncation. If the `number_of_states_kept` is smaller than the
dimension of the current Hilbert space block, all states are kept.
Returns
-------
energy : a double.
The energy for the `current_size`.
entropy : a double.
The Von Neumann entropy for the cut that splits the chain into two
equal halves.
truncation_error : a double.
The truncation error, i.e. the sum of the discarded eigenvalues of
the reduced density matrix.
Notes
-----
This asymmetric version of the algorithm when you just grow one of the
block while keeping the other one-site long, is obviously less precise
than the symmetric version when you grow both sides. However as we are
going to sweep next using the finite algorithm we don't care much
about precision at this stage.
"""
model.set_hamiltonian(system)
ground_state_energy, ground_state_wf = system.calculate_ground_state()
entropy, truncation_error = grow_block_by_one_site("left", ground_state_wf, system, number_of_states_kept)
return ground_state_energy, entropy, truncation_error
