0.12.0

What's Changed

• Add method to SCIState to compute spin squared by @kevinsung in #217
• add test for diagonalize_fermionic_hamiltonian by @kevinsung in #218
• add release note for SCIState breaking change by @kevinsung in #214
• Refactor postselection and subsampling logic by @kevinsung in #219
• add test for postselect_by_hamming_right_and_left by @kevinsung in #220
• fix bitstring_matrix_to_ci_strs docstring by @kevinsung in #221
• Add functions to api docs by @caleb-johnson in #213
• Bump pylint from 3.3.6 to 3.3.7 by @dependabot[bot] in #208
• Support more than 53 orbitals in bitstring_matrix_to_ci_strs by @kevinsung in #226
• Test that diagonalize_fermionic_hamiltonian result is reproducible with random seed by @kevinsung in #229
• Bump ruff from 0.11.12 to 0.12.1 by @dependabot[bot] in #227
• Bump mypy from 1.16.0 to 1.16.1 by @dependabot[bot] in #228
• Add max_dim argument to diagonalize_fermionic_hamiltonian by @kevinsung in #230
• Add error message when there is zero valid bitstring for subsample by @WanHsuanLin in #232
• Bump ruff from 0.12.1 to 0.12.7 by @dependabot[bot] in #235
• Bump mypy from 1.16.1 to 1.17.1 by @dependabot[bot] in #234
• Bump actions/checkout from 4 to 5 by @dependabot[bot] in #237
• Fix SCIState save and load by @kevinsung in #238
• Add release note for SCIState save and load bug fix by @kevinsung in #239
• Update links to tutorials by @jenglick in #242
• Bump actions/upload-pages-artifact from 3 to 4 by @dependabot[bot] in #241
• Bump ruff from 0.12.7 to 0.12.11 by @dependabot[bot] in #245
• Reduce code duplication in _p_flip_1_to_0 by @garrison in #251
• Bump ghalactic/github-release-from-tag from 5 to 6 by @dependabot[bot] in #250
• Bump actions/setup-python from 5 to 6 by @dependabot[bot] in #249
• Bump pylint from 3.3.7 to 3.3.8 by @dependabot[bot] in #246
• Prepare 0.12 release by @caleb-johnson in #252

New Contributors

• @WanHsuanLin made their first contribution in #232
• @jenglick made their first contribution in #242

Full Changelog: 0.11.0...0.12.0

0.11.0

What's Changed

• tutorial 1 cleanup by @caleb-johnson in #157
• Update landing pages by @caleb-johnson in #159
• remove deprecated function bitstring_matrix_to_sorted_addresses by @kevinsung in #163
• un-deprecate tuple input to solve_fermion by @kevinsung in #170
• Add upper bound to the qiskit version by @garrison in #169
• Add development version tests by @garrison in #167
• Add minimum version tests by @garrison in #168
• Some improvements and fixes to the SKQD tutorial by @kevinsung in #162
• Add note informing that bitstring matrix will be sorted/deduplicated inside solve_qubit by @caleb-johnson in #173
• Bump pylint from 3.3.4 to 3.3.6 by @dependabot in #178
• Bump ruff from 0.9.9 to 0.11.2 by @dependabot in #177
• SKQD tutorial: State preparation should have gates for spin up too by @kevinsung in #176
• Initialize bitarray_asint as np.int64(0) to fix type conversion error by @ashsaki in #180
• fix units in SKQD tutorial by @kevinsung in #183
• Fix language in tutorial 2 by @caleb-johnson in #187
• update probability weight heuristic for configuration recovery by @willkirby1 in #185
• Allow trailing kwargs in solve_fermion for pyscf solver by @caleb-johnson in #197
• Bump ruff from 0.11.2 to 0.11.8 by @dependabot in #200
• Add shift kwarg to solve_fermion by @caleb-johnson in #201
• Update intersphinx mapping URLs & others by @arnaucasau in #207
• Add high-level function for SQD by @kevinsung in #195
• Bump mypy from 1.15.0 to 1.16.0 by @dependabot in #210
• Bump ruff from 0.11.8 to 0.11.12 by @dependabot in #209
• Update DICE guide to use diagonalize_fermionic_hamiltonian by @kevinsung in #211
• Prepare 0.11 release by @caleb-johnson in #212

New Contributors

• @ashsaki made their first contribution in #180
• @willkirby1 made their first contribution in #185

Full Changelog: 0.10.0...0.11.0

0.10.0

What's Changed

• Bump pylint from 3.3.3 to 3.3.4 by @dependabot in #136
• Bump ruff from 0.8.4 to 0.9.4 by @dependabot in #135
• fix spin_sq type annotation from int to float by @kevinsung in #138
• Clean up headers in notebook guides by @caleb-johnson in #143
• Refactor how mean orbital occupancies are specified throughout API by @caleb-johnson in #151
• Bump mypy from 1.14.1 to 1.15.0 by @dependabot in #153
• Bump ruff from 0.9.4 to 0.9.9 by @dependabot in #152
• Add lattice model tutorial by @caleb-johnson in #154
• Fix documentation on Pauli operator projection by @neumannrf in #145
• Use RDMs to calculate e by @caleb-johnson in #142
• Bump version by @caleb-johnson in #156

New Contributors

• @neumannrf made their first contribution in #145

Full Changelog: 0.9.0...0.10.0

0.9.0

What's Changed

• Calculate exact energy with PySCF in tutorial by @caleb-johnson in #104
• Show inheritance in inlined classes in docs by @Eric-Arellano in #102
• Fix GitHub source code links due to missing env vars by @Eric-Arellano in #103
• Delete the fcidump and calculate the integrals with pyscf by @caleb-johnson in #107
• Update all guides to calculate integrals using pyscf by @caleb-johnson in #109
• Add release note about pyscf on Windows by @garrison in #114
• Fix lint errors in CI by @caleb-johnson in #119
• Remove incorrect note from CR docstring by @caleb-johnson in #118
• Add a linter to check the images' alt text by @arnaucasau in #117
• Bump pylint from 3.3.1 to 3.3.3 by @dependabot in #125
• Bump ruff from 0.7.2 to 0.8.4 by @dependabot in #124
• Bump mypy from 1.13.0 to 1.14.1 by @dependabot in #123
• Use only upper triangle to define the orbital optimization rotation by @caleb-johnson in #130
• Fix indexing bug in recover_configurations by @haimeng-zhang in #132
• Add regression test for recover_configurations by @caleb-johnson in #133
• Prepare 0.9 release by @caleb-johnson in #134

New Contributors

• @arnaucasau made their first contribution in #117
• @haimeng-zhang made their first contribution in #132

Full Changelog: 0.8.0...0.9.0

0.8.1

What's Changed

• Calculate exact energy with PySCF in tutorial (backport #104) by @mergify in #105
• Fix GitHub source code links due to missing env vars (backport #103) by @mergify in #106
• Delete the fcidump and calculate the integrals with pyscf (backport #107) by @mergify in #108
• Prepare 0.8.1 by @garrison in #112

Full Changelog: 0.8.0...0.8.1

0.8.0

What's Changed

• Add a citation file by @caleb-johnson in #76
• Fix GitHub source code links for decorated functions by @garrison in #75
• in chemistry tutorial, correct reported error from 200 mH to 60 mH by @kevinsung in #82
• Add support for py39 by @caleb-johnson in #83
• Replace pydocstyle with Ruff by @Eric-Arellano in #87
• Reorganize API docs by @Eric-Arellano in #88
• Clean up some errors in API docs by @caleb-johnson in #92
• Create an SCIState class for describing quantum states by @caleb-johnson in #91
• Use random number generators, not global seeds by @caleb-johnson in #94
• Delete symmetry information from fcidump to avoid PySCF error by @kevinsung in #97
• Always show type hints in docs by @Eric-Arellano in #96
• Bump ruff from 0.6.8 to 0.7.2 by @dependabot in #99
• Bump mypy from 1.11.2 to 1.13.0 by @dependabot in #98
• Prepare 0.8 release by @caleb-johnson in #101

New Contributors

• @Eric-Arellano made their first contribution in #87

Full Changelog: 0.7.0...0.8.0

0.7.0

What's Changed

• Use XZ logic to specify Pauli terms by @caleb-johnson in #61
• Update Dice how-to by @caleb-johnson in #62
• Fix dead link in Dice solver how-to by @caleb-johnson in #64
• Improve figure and explanation in tutorial 1 by @caleb-johnson in #67
• Bump ruff from 0.6.4 to 0.6.8 by @dependabot in #73
• Bump pylint from 3.2.7 to 3.3.1 by @dependabot in #72
• Add unit tests, clean up documentation, and add error handling in qubit module. by @caleb-johnson in #69
• Fix bugs in optimize_orbitals related to open-shell workflows by @caleb-johnson in #71
• Fix bugs in fermion module affecting open shell systems by @caleb-johnson in #74
• Prepare 0.7 release by @caleb-johnson in #77

New Contributors

• @dependabot made their first contribution in #73

Full Changelog: 0.6.0...0.7.0

0.6.0

0.6.0 release

0.5.0

What's Changed

• Set earliest version in reno by @caleb-johnson in #14
• Force hamming_left and hamming_right to be kwargs throughout API by @caleb-johnson in #16
• Prepare 0.5.0 release by @caleb-johnson in #17

Full Changelog: 0.4.0...0.5.0

0.4.0

What's Changed

• Documentation adjustments by @mrossinek in #5
• docs: correct explanation of ffsim pre-init transpiler passes by @kevinsung in #8
• Add qubit functions to the API docs by @caleb-johnson in #10
• Adjust API to be more consistent in specifying # spin electrons and target hamming weights by @caleb-johnson in #11
• Bump to version 0.4 by @caleb-johnson in #13

New Contributors

• @mrossinek made their first contribution in #5
• @kevinsung made their first contribution in #8

Full Changelog: 0.3.0...0.4.0