v1.6.2

Pr robustness application (#183)
Added code and techniques described in https://arxiv.org/abs/2110.09793

sign consistency between upccgsd circuit optimizations (#184)
more consistency between different mappings (e.g. optimized compiling in JW vs standard compiling in BK)

fixing bug in qcbase (#182)
prepare_reference did not consider potential reordering in the fermionic encoding

PR-Improved-rotation-circuits-in-grouping (#162)  
More efficient basis-change rotation-circuits in the measurement reduction scheme of T.-C. Yen, V. Verteletskyi and A. Izmaylov
Will be described in detail in Z. Bansingh, A. Izmaylov et. al. (once published paper will be added to README.md list)

Qiskit update (#185)
Fixing qiskit backend to comply with new version

v1.6.1

SPSA Optimizer and Bug-Fixes

SPSA optimizer - @Zombor00
fix geometry formatting bug in ParametersQC (#176) @M-i-W
fixing issues with FixedVariable and gradients (#177) @kottmanj
Fixed bugs related to singles rotations in UCC methods (#179) @kottmanj

v1.6.0

• Pr opt compiling (#148)

• switch on optimized compiling of qubit excitations by default, small bugfix in trotterized gates

• fixed issue with reordered jordanwigner and optimized compiling

• qubit excitation: optimized compiling also for non-ordered excitations

• Pr map variables (#149)

• allow mapping of variables

• fixed qpic and circuit parameter repr

• transformed variables work for new versions of jax/jaxlib (#151)

• more consistency between qubit excitations and fermionic_excitation gates

• adapted tests

• PR:PySCF (#153)

• automatize pyscf support

• Pr four term rule (#150)

• sync with master

• initial four-term rule

• four term rule for qubit excitation
  PR by dwierichs

• F12 correction (#156)

• added F12 functionality

• more convenience in adding gates to circuit (#157)
  PR by p. schleich

• PR pyscf hotfix (#158)

• circumvent pyscf crash from newest h5py release

• QLM simulator support (#159)

• Created support for QLM (simulators)
  PR by Leo Becker

• Pr controlled (#160)

• Add control_circ method to QCircuit
  PR by MakoStrwlkr

• Changed cirq.TrialResult to cirq.Result (#167)

Co-authored-by: David Wierichs [email protected]
Co-authored-by: Philipp Schleich [email protected]
Co-authored-by: Leo Becker [email protected]
Co-authored-by: MakoStrwlkr [email protected]

v1.5.1

updating version file

tequila v1.5.0

Chemistry Updates:

• added hardcore boson hamiltonian to qc_base
• improved madness defaults (symmmetric orthogonalization, boys localization, diagonal approximation)
• active space integration into hcb hamiltonians
• qubit mapping for circuits includes generators nowl
• collect more information in adapt
• simplified and generalized qubit encodings in the chemistry backend
• naming pnoinfo files consistently
• unifying upccgsd labeling
• better file handling from madinterface
• unified (SPA-)-(HCB)-UpCC(G)(S)D approaches according to arXiv:2105.03836
• optimized qubit excitations according to arxiv:2005.14475
• adding A approximation to UpCCGSD singles
• added SPA keyword for consistency with paper
• pyscf bridge for convenience + streamlined method calling in spa and upccgsd hierarchies
• added classical methods to pyscf
• added pyscf to CI
  *avoid gate duplication in make_upccsd
  General Updates and Fixes:
• cleaning up gates
• moving improved QubitExcitations from devel-chemistry to public devel
• moving improved Controlled-Gates-Shifts from devel-chemistry to public devel
• balanced improvements in gates with current version of the chem module
  *Avoid numeric type issue with jax for lazy initialization of initial variables in some optimizers
  *fixed issue with scipy module and noise (now passed down correctly)
  *improved qpic module

tequila v1.0.0

Initial release version of tequila

The main features are described in:
https://arxiv.org/abs/2011.03057
Extended features for the chemistry module are described in:
https://pubs.rsc.org/en/content/articlelanding/2021/SC/D0SC06627C#!divAbstract