All notable changes to the project will be documented in this file. The project adheres semantic versioning
- Change arguments of :meth:`~tenpy.networks.terms.CouplingTerms.coupling_term_handle_JW` and :meth:`~tenpy.networks.terms.MultiCouplingTerms.multi_coupling_term_handle_JW` to use strength and sites instead of op_needs_JW.
- Only accept valid identifiers as operator names in :meth:`~tenpy.networks.site.Site.add_op`.
- :func:`~tenpy.linalg.np_conserved.grid_concat` allows for
Noneentries (representing zero blocks). - :meth:`~tenpy.networks.mps.MPS.from_full` allows for 'segment' boundary conditions.
- :meth:`~tenpy.networks.mps.MPS.apply_local_op` allows for n-site operators.
- max_range attribute in :class:`~tenpy.networks.mpo.MPO` and :class:`~tenpy.networks.mpo.MPOGraph`.
- :meth:`~tenpy.networks.mpo.MPO.is_hermitian`
- Nearest-neighbor interaction in :class:`~tenpy.models.bose_hubbard.BoseHubbardModel`
- :meth:`~tenpy.networks.site.Site.multiply_op_names` to replace
' '.join(op_names)and allow explicit compression/multiplication. - :func:`~tenpy.networks.terms.order_combine_term` to group operators together.
- :meth:`~tenpy.networks.mpo.MPO.dagger` of MPO's (and to implement that also :meth:`~tenpy.linalg.charges.LegCharge.flip_charges_qconj`).
- :meth:`~tenpy.linalg.np_conserved.Arrray.has_label` to check if a label exists
- :meth:`~tenpy.tools.math.qr_li` and :meth:`~tenpy.tools.math.rq_li`
- Addition of MPOs
- :issue:`36`: long-range couplings could give IndexError.
- :issue:`42`: Onsite-terms in :class:`~tenpy.models.fermions_hubbard.FermionicHubbardModel` were wrong for lattices with non-trivial unit cell.
- Missing a factor 0.5 in :func:`~tenpy.linalg.random_matrix.GUE`.
- Allow :class:`~tenpy.networks.terms.TermList` to have terms with multiple operators acting on the same site.
- Allow MPS indices outside unit cell in :meth:`~tenpy.models.lattice.Lattice.mps2lat_idx` and :meth:`~tenpy.models.lattice.Lattice.lat2mps_idx`.
- :meth:`~tenpy.networks.MPSEnvironment.expectation_value` did not work for n-site operators.
- The argument order of :class:`tenpy.models.lattice.Lattice` could be a tuple
(priority, snake_winding)before. This is no longer valid and needs to be replaced by("standard", snake_winding, priority). - Moved the boundary conditions bc_coupling from the :class:`tenpy.models.model.CouplingModel` into the :class:`tenpy.models.lattice.Lattice` (as bc). Using the parameter bc_coupling will raise a FutureWarning, one should set the boundary conditions directly in the lattice.
- Added parameter permute (True by default) in :meth:`tenpy.networks.mps.MPS.from_product_state` and :meth:`tenpy.networks.mps.MPS.from_Bflat`. The resulting state will therefore be independent of the "conserve" parameter of the Sites - unlike before, where the meaning of the p_state argument might have changed.
- Generalize and rename
tenpy.networks.site.DoubleSiteto :class:`tenpy.networks.site.GroupedSite`, to allow for an arbitrary number of sites to be grouped. Argumentssite0, site1, label0, label1of the __init__ can be replaced with[site0, site1], [label0, label1]andop0, op1of the kronecker_product with[op0, op1]; this will recover the functionality of the DoubleSite. - Restructured callstructure of Mixer in DMRG, allowing an implementation of other mixers.
To enable the mixer, set the DMRG parameter
"mixer"toTrueor'DensityMatrixMixer'instead of just'Mixer'. - The interaction parameter in the :class:`tenpy.models.bose_hubbbard_chain.BoseHubbardModel` (and :class:`tenpy.models.bose_hubbbard_chain.BoseHubbardChain`) did not correspond to U/2 N (N-1) as claimed in the Hamiltonian, but to U N^2. The correcting factor 1/2 and change in the chemical potential have been fixed.
- Major restructuring of :mod:`tenpy.linalg.np_conserved` and :mod:`tenpy.linalg.charges`.
This should not break backwards-compatibility, but if you compiled the cython files, you need to remove the
old binaries in the source directory. Using
bash cleanup.shmight be helpful to do that, but also remove other files within the repository, so be careful and make a backup beforehand to be on the save side. Afterwards recompile withbash compile.sh. - Changed structure of :attr:`tenpy.models.model.CouplingModel.onsite_terms` and :attr:`tenpy.models.model.CouplingModel.coupling_terms`: Each of them is now a dictionary with category strings as keys and the newly introduced :class:`tenpy.networks.terms.OnsiteTerms` and :class:`tenpy.networks.terms.CouplingTerms` as values.
- :meth:`tenpy.models.model.CouplingModel.calc_H_onsite` is deprecated in favor of new methods.
- Argument raise_op2_left of :meth:`tenpy.models.model.CouplingModel.add_coupling` is deprecated.
- :meth:`tenpy.networks.mps.MPS.canonical_form_infinite`.
- :meth:`tenpy.networks.mps.MPS.expectation_value_term`, :meth:`tenpy.networks.mps.MPS.expectation_value_terms_sum` and :meth:`tenpy.networks.mps.MPS.expectation_value_multi_sites` for expectation values of terms.
- :meth:`tenpy.networks.mpo.MPO.expectation_value` for an MPO.
- :meth:`tenpy.linalg.np_conserved.Array.extend` and :meth:`tenpy.linalg.charges.LegCharge.extend`, allowing to extend an Array with zeros.
- DMRG parameter
'orthogonal_to'allows to calculate excited states for finite systems. - possibility to change the number of charges after creating LegCharges/Arrays.
- more general way to specify the order of sites in a :class:`tenpy.models.lattice.Lattice`.
- new :class:`tenpy.models.lattice.Triangular`, :class:`tenpy.models.lattice.Honeycomb` and :class:`tenpy.models.lattice.Kagome` lattice
- a way to specify nearest neighbor couplings in a :class:`~tenpy.models.lattice.Lattice`, along with methods to count the number of nearest neighbors for sites in the bulk, and a way to plot them (:meth:`~tenpy.models.lattice.Lattice.plot_coupling` and friends)
- :meth:`tenpy.networks.mpo.MPO.from_grids` to generate the MPO from a grid.
- :class:`tenpy.models.model.MultiCouplingModel` for couplings involving more than 2 sites.
- request #8: Allow shift in boundary conditions of :class:`~tenpy.models.model.CouplingModel`.
- Allow to use state labels in :meth:`tenpy.networks.mps.MPS.from_product_state`.
- :class:`tenpy.models.model.CouplingMPOModel` structuring the default initialization of most models.
- Allow to force periodic boundary conditions for finite MPS in the :class:`~tenpy.modles.model.CouplingMPOModel`. This is not recommended, though.
- :meth:`tenpy.models.model.NearestNeighborModel.calc_H_MPO_from_bond` and :meth:`tenpy.models.model.MPOModel.calc_H_bond_from_MPO` for conversion of H_bond into H_MPO and vice versa.
- :class:`tenpy.algorithms.tebd.RandomUnitaryEvolution` for random unitary circuits
- Allow documentation links to github issues, arXiv, papers by doi and the forum with
e.g.
:issue:`5`, :arxiv:`1805.00055`, :doi:`10.21468/SciPostPhysLectNotes.5`, :forum:`3` - :meth:`tenpy.models.model.CouplingModel.coupling_strength_add_ext_flux` for adding hoppings with external flux.
- :meth:`tenpy.models.model.CouplingModel.plot_coupling_terms` to visualize the added coupling terms.
- :class:`tenpy.networks.terms.OnsiteTerms`, :class:`tenpy.networks.terms.CouplingTerms`, :class:`tenpy.networks.terms.MultiCouplingTerm` containing the of terms for the :class:`~tenpy.models.model.CouplingModel` and :class:`~tenpy.models.model.MultiCouplingModel`. This allowed to add the category argument to :class:`~tenpy.models.model.CouplingModel.add_onsite`, :class:`~tenpy.models.model.CouplingModel.add_coupling` and :class:`~tenpy.models.model.MultiCouplingModel.add_multi_coupling`.
- :class:`tenpy.networks.terms.TermList` as another (more human readable) representation of terms with conversion from
and to the other
*Termclasses. - :meth:`tenpy.networks.mps.MPS.init_LP` and :meth:`tenpy.networks.mps.MPS.init_RP` to initialize left and right parts of an Environment.
- :meth:`tenpy.networks.mpo.MPOGraph.from_terms` and :meth:`tenpy.networks.mpo.MPOGraph.from_term_list`.
- argument charge_sector in :meth:`tenpy.networks.mps.MPS.correlation_length`.
- moved toycodes from the folder
examples/to a new foldertoycodes/to separate them clearly. - major remodelling of the internals of :class:`tenpy.linalg.np_conserved` and :class:`tenpy.linalg.charges`.
- Introduced the new module
tenpy/linalg/_npc_helper.pyxwhich contains all the Cython code, and gets imported by - :class:`~tenpy.linalg.np_conserved.Array` now rejects addition/subtraction with other types
- :class:`~tenpy.linalg.np_conserved.Array` now rejects multiplication/division with non-scalar types
- By default, make deep copies of npc Arrays.
- Introduced the new module
- Restructured lanczos into a class, added time evolution calculating
exp(A*dt)|psi0> - Warning for poorly conditioned Lanczos; to overcome this enable the new parameter reortho.
- Simplified call strucutre of :meth:`~tenpy.linalg.np_conserved.Array.extend`, and :meth:`~tenpy.linalg.charges.LegCharge.extend`.
- Restructured :mod:`tenpy.algorithms.dmrg`:
- :func:`~tenpy.algorithms.dmrg.run` is now just a wrapper around the new
:meth:`~tenpy.algorithms.dmrg.Engine.run`,
run(psi, model, pars)is roughly equivalent toeng = EngineCombine(psi, model, pars); eng.run(). - Added :meth:`~tenpy.algorithms.dmrg.Engine.init_env` and :meth:`~tenpy.algorithms.dmrg.Engine.reset_stats` to allow a simple restart of DMRG with slightly different parameters, e.g. for tuning Hamiltonian parameters.
- Call :meth:`~tenpy.networks.mps.MPS.canonical_form` for infinite systems if the final state is not in canonical form.
- :func:`~tenpy.algorithms.dmrg.run` is now just a wrapper around the new
:meth:`~tenpy.algorithms.dmrg.Engine.run`,
- Changed default values for some parameters:
- set
trunc_params['chi_max'] = 100. Not setting a chi_max at all will lead to memory problems. DisableDMRG_params['chi_list'] = Noneby default to avoid conflicting settings. - reduce to
mixer_params['amplitude'] = 1.e-5. A too strong mixer screws DMRG up pretty bad. - increase
Lanczos_params['N_cache'] = N_max(i.e., keep all states) - set
DMRG_params['P_tol_to_trunc'] = 0.05and provide reasonable ..._min and ..._max values. - increased (default) DMRG accuracy by setting
DMRG_params['max_E_err'] = 1.e-8andDMRG_params['max_S_err'] = 1.e-5. - don't check the (absolute) energy for convergence in Lanczos.
- set
DMRG_params['norm_tol'] = 1.e-5to check whether the final state is in canonical form.
- set
- Verbosity of :func:`~tenpy.tools.params.get_parameter` reduced: Print parameters only for verbosity >=1. and default values only for verbosity >= 2.
- Don't print the energy during real-time TEBD evolution - it's preserved up to truncation errors.
- Renamed the SquareLattice class to :class:`tenpy.models.lattice.Square` for better consistency.
- auto-determine whether Jordan-Wigner strings are necessary in :meth:`~tenpy.models.model.CouplingModel.add_coupling`.
- The way the labels of npc Arrays are stored internally changed to a simple list with None entries. There is a deprecated propery setter yielding a dictionary with the labels.
- renamed first_LP and last_RP arguments of :class:`~tenpy.networks.mps.MPSEnvironment` and :class:`~tenpy.networks.mpo.MPOEnvironment` to init_LP and init_RP.
- Testing: insetad of the (outdated) nose, we now use pytest <https://pytest.org> for testing.
- :issue:`22`: Serious bug in :func:`tenpy.linalg.np_conserved.inner`: if
do_conj=Trueis used with non-zeroqtotal, it returned 0. instead of non-zero values. - avoid error in :meth:`tenpy.networks.mps.MPS.apply_local_op`
- Don't carry around total charge when using DMRG with a mixer
- Corrected couplings of the FermionicHubbardChain
- :issue:`2`: memory leak in cython parts when using intelpython/anaconda
- :issue:`4`: incompatible data types.
- :issue:`6`: the CouplingModel generated wrong Couplings in some cases
- :issue:`19`: Convergence of energy was slow for infinite systems with
N_sweeps_check=1 - more reasonable traceback in case of wrong labels
- wrong dtype of npc.Array when adding/subtracting/... arrays of different data types
- could get wrong H_bond for completely decoupled chains.
- SVD could return outer indices with different axes
- :meth:`tenpy.networks.mps.MPS.overlap` works now for MPS with different total charge
(e.g. after
psi.apply_local_op(i, 'Sp')). - skip existing graph edges in MPOGraph.add() when building up terms without the strength part.
- Attribute chinfo of :class:`~tenpy.models.lattice.Lattice`.
This is the first version published on github.
- Cython modules for np_conserved and charges, which can optionally be compiled for speed-ups
- tools.optimization for dynamical optimization
- Various models.
- More predefined lattice sites.
- Example toy-codes.
- Network contractor for general networks
- Switch to python3
- Python 2 support.
- Compatible with python2 and python3 (using the 2to3 tool).
- Development version.
- Includes TEBD and DMRG.
This library is based on a previous (closed source) version developed mainly by Frank Pollmann, Michael P. Zaletel and Roger S. K. Mong. While allmost all files are completely rewritten and not backwards compatible, the overall structure is similar. In the following, we list only the most important changes.
syntax style based on PEP8. Use
$>yapf -r -i ./to ensure consitent formatting over the whole project. Special comments# yapf: disableand# yapf: enablecan be used for manual formatting of some regions in code.Following PEP8, we distinguish between 'private' functions, indicated by names starting with an underscore and to be used only within the library, and the public API. The puplic API should be backwards-compatible with different releases, while private functions might change at any time.
all modules are in the folder
tenpyto avoid name conflicts with other libraries.withing the library, relative imports are used, e.g.,
from ..tools.math import (toiterable, tonparray)Exception: the files in tests/ and examples/ run as__main__and can't use relative importsFiles outside of the library (and in tests/, examples/) should use absolute imports, e.g.
import tenpy.algorithms.tebdrenamed tenpy/mps/ to tenpy/networks, since it containes various tensor networks.
added :class:`~tenpy.networks.site.Site` describing the local physical sites by providing the physical LegCharge and onsite operators.
- pure python, no need to compile!
- in module :mod:`tenpy.linalg` instead of
algorithms/linalg. - moved functionality for charges to :mod:`~tenpy.linalg.charges`
- Introduced the classes :class:`~tenpy.linalg.charges.ChargeInfo` (basically the old
q_number, andmod_q) and :class:`~tenpy.linalg.charges.LegCharge` (the oldqind, qconj). - Introduced the class :class:`~tenpy.linalg.charges.LegPipe` to replace the old
leg_pipe. It is derived fromLegChargeand used as a leg in the array class. Thus any inherited array (aftertensordotetc still has all the necessary information to split the legs. (The legs are shared between different arrays, so it's saved only once in memory) - Enhanced indexing of the array class to support slices and 1D index arrays along certain axes
- more functions, e.g. :func:`~tenpy.linalg.np_conserved.grid_outer`
- Introduced TruncationError for easy handling of total truncation error.
- some truncation parameters are renamed and may have a different meaning, e.g. svd_max -> svd_min has no 'log' in the definition.
- separate Lanczos module in tenpy/linalg/. Strangely, the old version orthoganalized against the complex conjugates of orthogonal_to (contrary to it's doc string!) (and thus calculated 'theta_o' as bra, not ket).
- cleaned up, provide prototypes for DMRG engine and mixer.
- added :mod:`tenpy.tools.misc`, which contains 'random stuff' from old
tools.mathliketo_iterableandto_array(renamed to follow PEP8, documented) - moved stuff for fitting to :mod:`tenpy.tools.fit`
- enhanced :func:`tenpy.tools.string.vert_join` for nice formatting
- moved (parts of) old cluster/omp.py to :mod:`tenpy.tools.process`
- added :mod:`tenpy.tools.params` for a simplified handling of parameter/arguments for models and/or algorithms. Similar as the old models.model.set_var, but use it also for algorithms. Also, it may modify the given dictionary.