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

v0.0.38

What's Changed

• add from_fcidump and approx_eq methods to MolecularHamiltonian by @kevinsung in #243
• increase pyscf requirement to 2.4 by @kevinsung in #245
• Add functions to return spin-separated RDMs by @kevinsung in #248
• add conversions between addresses and strings as ints by @kevinsung in #249
• Expose sample_state_vector by @kevinsung in #250
• expose final_state_vector by @kevinsung in #251
• rename random_statevector -> random_state_vector by @kevinsung in #252
• Drop Python 3.8 by @kevinsung in #254
• use np.ascontiguousarray and remove unnecessary copy by @kevinsung in #255
• Validate UCJ dataclasses by @kevinsung in #256

Full Changelog: v0.0.37...v0.0.38

v0.0.37

What's Changed

• add complex phase to givens rotation by @kevinsung in #236
• Givens ansatz by @kevinsung in #237
• add spin-balanced num-num ansatz by @kevinsung in #238
• Add diagonal Coulomb Hamiltonian class by @bartandrews in #193
• Fix docstring for fermi_hubbard_1d by @bartandrews in #199
• add full layers when initializing givens ansatz op from orbital rotation by @kevinsung in #241
• Fix incorrect creation of fully parameterized Givens rotation network by @kevinsung in #242

Full Changelog: v0.0.36...v0.0.37

v0.0.36

What's Changed

• support spinless orbital rotation by @kevinsung in #210
• support spinless states by @kevinsung in #211
• support spinless diag coulomb evo by @kevinsung in #212
• support spinless num op sum evo by @kevinsung in #214
• add support for some spinless basic gates by @kevinsung in #216
• add spinless support to qiskit module by @kevinsung in #218
• add spinless UCJ operator by @kevinsung in #219
• implement apply_num_interaction using apply_num_op_sum by @kevinsung in #221
• move one_hot to linalg module by @kevinsung in #223
• handle notimplemented in apply unitary protocol by @kevinsung in #225
• use spinless code in multireference by @kevinsung in #224
• support spinless num-num, hop, fsim gates by @kevinsung in #226
• merge orbital rotations in df trotter by @kevinsung in #233
• Merge orbital rotations for UCJ operator apply unitary by @kevinsung in #234

Full Changelog: v0.0.35...v0.0.36

v0.0.35

What's Changed

• molecular data: store irrep strings instead of integers by @kevinsung in #180
• molecular data: molecular coefficients are not necessarily from HF by @kevinsung in #181
• deprecate MolecularData.from_mole by @kevinsung in #182
• remove deprecated function apply_on_site_num_num_interaction by @kevinsung in #184
• Add two-dimensional Fermi-Hubbard model by @bartandrews in #141
• add strings_to_indices function by @kevinsung in #187
• add diagonal protocol for computing diagonal of linear operator by @kevinsung in #188
• Remove usage of LU orbital rotation in favor of Givens by @kevinsung in #190
• remove code related to LU decomposition orbital rotation by @kevinsung in #191
• use tuple input to handle spin asymmetry instead of spin enum by @kevinsung in #192
• support asymmetric spin for diagonal coulomb evolution by @kevinsung in #194
• remove input validation for low-level gates by @kevinsung in #198
• support numpy array input instead of tuple by @kevinsung in #200
• Handle asymmetric alpha-beta for diag coulomb qiskit gate by @kevinsung in #201
• Add spin-balanced UCJ operator and refactor spin-unbalanced UCJ by @kevinsung in #208

New Contributors

• @KPCOFGS made their first contribution in #179

Full Changelog: v0.0.34...v0.0.35

v0.0.34

What's Changed

• update ruff to 0.4.4 and relax other requirements by @kevinsung in #176
• add Sampler primitive by @kevinsung in #175

Full Changelog: v0.0.33...v0.0.34

v0.0.33

Full Changelog: v0.0.32...v0.0.33

v0.0.32

What's Changed

• qiskit: add spinless orbital rotation gate by @kevinsung in #170
• docs: in gate decompositions explanation, add links to gate API docs by @kevinsung in #172

Full Changelog: v0.0.31...v0.0.32

v0.0.31

What's Changed

• publish docs for stable branch instead of main by @kevinsung in #160
• Define PRE_INIT pass manager constant in ffsim.qiskit by @kevinsung in #163
• givens decomposition: apply zrot without copying matrix by @kevinsung in #165
• docker: install dev dependencies by @kevinsung in #166
• add givens ansatz operator by @kevinsung in #167
• linear method: support optimizing hyperparameters individually by @kevinsung in #168
• split dev, release, and stable docs workflows by @kevinsung in #169

Full Changelog: v0.0.30...v0.0.31

v0.0.30

What's Changed

• test and build for intel mac by @kevinsung in #162

Full Changelog: v0.0.29...v0.0.30