v0.0.48

What's Changed

• Add real-valued UCCSD ansatz by @kevinsung in #327
• better type handling for orb rot <-> params conversion by @kevinsung in #329
• add missing argument documentation by @kevinsung in #331
• Add function to return Slater determinant amplitudes by @kevinsung in #330
• reorganize slater functions by @kevinsung in #332
• fix numpy array handling in strings to addresses by @kevinsung in #333
• support interaction pairs for random ucj ops by @kevinsung in #335
• remove deprecated classes from variational module by @kevinsung in #336
• enable check-untyped-defs mypy option by @kevinsung in #337

The following deprecated functions and classes were removed:

• ffsim.GivensAnsatzOperator
• ffsim.RealUCJOperator
• ffsim.UCJOperator
• ffsim.qiskit.GivensAnsatzOperatorJW
• ffsim.qiskit.GivensAnsatzOperatorSpinlessJW
• ffsim.qiskit.UCJOperatorJW
• ffsim.random.random_ucj_operator

Full Changelog: v0.0.47...v0.0.48

v0.0.47

What's Changed

• fix sampling bit array with zero shots by @kevinsung in #326

Full Changelog: v0.0.46...v0.0.47

v0.0.46

What's Changed

• Support complex two-body tensor linear operator by @kevinsung in #279
• ffsim sampler: return bit array directly by @kevinsung in #324
• FfsimSampler: support global depolarizing noise by @kevinsung in #325

Full Changelog: v0.0.45...v0.0.46

v0.0.45

What's Changed

• add qiskit diag coulomb trotter gate by @kevinsung in #304
• fix mypy by @kevinsung in #309
• import FermionOperator from operators by @kevinsung in #307
• add fermion_operator for df hamiltonian by @kevinsung in #308
• update blas-src by @kevinsung in #312
• update ruff to 0.6.2 by @kevinsung in #313
• just use assert and == in test by @kevinsung in #315
• split Hubbard tests by @kevinsung in #316
• delete some hubbard tests by @kevinsung in #317
• add periodic_x and periodic_y to fermi-hubbard by @kevinsung in #318
• Use Qiskit sphinx theme by @kevinsung in #306
• docs: fix order of sections in qiskit gate decompositions notebook by @kevinsung in #319
• support generating random complex double-factorized hamiltonian by @kevinsung in #320
• Upgrade pyo3 to 0.21 by @kevinsung in #322

Full Changelog: v0.0.44...v0.0.45

v0.0.44

What's Changed

• add diag coulomb hamiltonian diag by @kevinsung in #296
• Direct slater sampler by @jrm874 in #257
• Add fswap gate by @haimeng-zhang in #295
• slater sampler: use set instead of list by @kevinsung in #299
• slater sampler: don't use np.ix_ by @kevinsung in #300
• add ftol to linear method and change gtol convergence to match scipy by @kevinsung in #302
• replace W with U for unitary by @kevinsung in #303

New Contributors

• @jrm874 made their first contribution in #257
• @haimeng-zhang made their first contribution in #295

Full Changelog: v0.0.43...v0.0.44

v0.0.43

What's Changed

• UCJ: pad t amplitude initialization to requested n_reps by @kevinsung in #294

Full Changelog: v0.0.42...v0.0.43

v0.0.42

What's Changed

• add to_molecular_hamiltonian and diag to df hamiltonian by @kevinsung in #287
• use more accurate trace in docs and tests by @kevinsung in #288
• add CISD to MolecularData by @kevinsung in #289
• simplify molecular data run methods by @kevinsung in #290
• add SCI data to molecular data by @kevinsung in #293

Full Changelog: v0.0.41...v0.0.42

v0.0.41

What's Changed

• handle real vectors in hamiltonian linop by @kevinsung in #266
• add diagonal coulomb trotter by @kevinsung in #267
• remove TODO from trotter tests by @kevinsung in #269
• separate real and complex molecular hamiltonian linop by @kevinsung in #270
• don't attempt to compute dipole integrals and orbital symmetries by @kevinsung in #271
• add MolecularData.to_fcidump by @kevinsung in #272
• Add number operator sum evolution Qiskit gate by @kevinsung in #273
• add random_double_factorized_hamiltonian by @kevinsung in #274
• Add double-factorized Trotter simulation Qiskit gate by @kevinsung in #275
• add num op sum and df trotter to qiskit notebooks by @kevinsung in #276
• Support double-factorized trotter gate in FfsimSampler by @kevinsung in #277
• use nao instead of nao_nr() by @kevinsung in #278
• define array for StateVector by @kevinsung in #280
• Add Qiskit Jordan-Wigner transform by @kevinsung in #281
• add BitstringType enum to support multiple bitstring types by @kevinsung in #282
• deprecate indices_to_strings and strings_to_indices in favor of addresses_to_strings and strings_to_addresses by @kevinsung in #283
• implement bitstring conversion from bit array by @kevinsung in #284
• trotter: simulate global phase by @kevinsung in #285

Full Changelog: v0.0.40...v0.0.41

v0.0.40

What's Changed

• add default values for orbs and shots to sample_state_vector by @kevinsung in #261
• support non-concatenated bitstrings by @kevinsung in #262
• add MolecularData.from_fcidump and deprecate MolecularHamiltonian.fcidump by @kevinsung in #264

Full Changelog: v0.0.39...v0.0.40

v0.0.39

What's Changed

• support open shell in MolecularData by @kevinsung in #259
• Support JSON serialization for MolecularData by @kevinsung in #258
• linear method: change default regularization to 1e-4 by @kevinsung in #260

Full Changelog: v0.0.38...v0.0.39