v0.0.61

What's Changed

• Add from_fermion_operator method to MoelcularHamiltonian class by @miamico in #386
• improve plots in LUCJ explanation by @kevinsung in #485
• support trace of diag Coulomb when imag part is zero by @kevinsung in #488
• Add how-to guide: How to simulate Trotterized time evolution by double-factorized Hamiltonians by @kevinsung in #487
• Add how-to guide: How to simulate Trotterized time evolution for the Fermi-Hubbard model by @kevinsung in #491
• Add how-to guide: How to build Qiskit circuits for Trotterized Hamiltonian simulation by @kevinsung in #493

New Contributors

• @miamico made their first contribution in #386

Full Changelog: v0.0.60...v0.0.61

v0.0.60

What's Changed

• revert t2 indexing convention in documentation by @kevinsung in #466
• update cibuildwheel to version 3.1.4 by @kevinsung in #478
• Build wheels for linux aarch64 by @planetf1 in #477

New Contributors

• @planetf1 made their first contribution in #477

Full Changelog: v0.0.59...v0.0.60

v0.0.59

What's Changed

• add test for constrained compressed double-factorization of t2 amplitudes by @kevinsung in #454
• support compressed double-factorization for UCJOpSpinless by @kevinsung in #455
• Remove hyphen from "double factorization" by @kevinsung in #458
• add UCCSD energy tests by @kevinsung in #459
• factor out linop function for UCCSD by @kevinsung in #460
• add adjoint method to FermionOperator by @kevinsung in #463
• Add coupled cluster operators by @kevinsung in #464
• Call aborb_h1e in two-body linear operator by @kevinsung in #465

Bug fixes

• #464 fixed a bug in which the sign of the T1 amplitudes in the UCCSD and UCJ ansatzes was negated.

Full Changelog: v0.0.58...v0.0.59

v0.0.58

What's Changed

• add complex UCCSD ansatz by @kevinsung in #417
• fix uccsd parameterization by @kevinsung in #418
• improve random UCJ operator generation by @kevinsung in #419
• allow adjusting mean of diagonal coulomb matrices in random ucj by @kevinsung in #420
• Add ReducedDensityMatrix class by @kevinsung in #424
• Use numpy functions in variational.util by @kevinsung in #425
• Add orbital optimization by @kevinsung in #426
• Qiskit gates: Support CCZGate and CRZGate by @q-inho in #427
• Qiskit gates: Support CSGate and CSdgGate by @q-inho in #428
• Qiskit gates: Support DiagonalGate by @q-inho in #430
• Compressed double-factorization: Add option to return optimize result by @kevinsung in #436
• Add batch versions of matrix parameterization functions by @kevinsung in #438
• Qiskit gates: Support CSwapGate by @q-inho in #437
• change the return shape of double factorization by @WanHsuanLin in #446
• Fix bug in normal-ordering by @kevinsung in #449
• add compressed double-factorization of T2 amplitudes by @WanHsuanLin in #422
• Support passing empty interaction pairs in LUCJ ansatz by @kevinsung in #450
• ensure n_reps > 0 for UCJ operators by @kevinsung in #451
• Fix formula for t2 amplitudes by @kevinsung in #452
• In LUCJ explanation, add section on parameter initialization from CCSD by @WanHsuanLin in #448

New Contributors

• @q-inho made their first contribution in #427
• @WanHsuanLin made their first contribution in #446

Full Changelog: v0.0.57...v0.0.58

v0.0.57

What's Changed

• add slater determinant amplitudes sign test by @kevinsung in #397
• use t1 in LUCJ examples by @kevinsung in #398
• reduce size of molecular data JSON test by @kevinsung in #399
• use NamedTemporaryFile as context manager by @kevinsung in #400
• rewrite orbital rotation documentation to improve clarity by @kevinsung in #402
• Add MolecularHamiltonianSpinless by @kevinsung in #403
• inherit from protocols by @kevinsung in #405
• implement approximate equality for DoubleFactorizedHamiltonian by @kevinsung in #407

Full Changelog: v0.0.56...v0.0.57

v0.0.56

What's Changed

• Add sign to Slater determinant by @kevinsung in #396

Full Changelog: v0.0.55...v0.0.56

v0.0.55

What's Changed

• add functions to convert spinful to spinless vectors, RDMs, and molecular Hamiltonian tensors by @kevinsung in #391
• used cached_property in MolecularData by @kevinsung in #392
• CI: test minimum versions by @kevinsung in #395
• delete _remove_sym_from_fcidump PySCF hack by @kevinsung in #393

Full Changelog: v0.0.54...v0.0.55

v0.0.54

What's Changed

• fix normal ordering bug in which spin was not used in equality by @kevinsung in #390
• Some improvements to DiagonalCoulombHamiltonian by @kevinsung in #389

Full Changelog: v0.0.53...v0.0.54

v0.0.53

What's Changed

• Update Qiskit Sampler notebook by @kevinsung in #375
• Qiskit gates: Add SwapGate and support XXPlusYYGate between non-adjacent qubit pairs by @kevinsung in #376
• Qiskit gates: Support iSwap by @kevinsung in #377
• Qiskit gates: Support Z, S, Sdg, T, Tdg by @kevinsung in #378
• Qiskit gates: Support CZGate by @kevinsung in #379
• Qiskit gates: Support GlobalPhaseGate by @kevinsung in #380
• In ffsim.PRE_INIT, decompose UCJOpSpinlessJW too by @kevinsung in #383
• fix CI by @kevinsung in #388
• refactor documentation of Qiskit functionality by @kevinsung in #387

Full Changelog: v0.0.52...v0.0.53

v0.0.52

What's Changed

• In Molecular Hamiltonian linear operator, only add constant when it's nonzero by @kevinsung in #370
• test that no warnings are raised in Python files by @kevinsung in #372
• (BREAKING CHANGE) Replace n_qubits argument in ffsim.qiskit.jordan_wigner with norb by @kevinsung in #374

Full Changelog: v0.0.51...v0.0.52