Version 2.4.0

What's Changed

• Fix missing dependencies, ModelAnalyzer control file loading, and LaTeX hang by @k-yoshimi in #118
• Support Python 3.11 by avoiding quote reuse in f-strings by @k-yoshimi in #120
• Reject unknown keys in model and control input by @k-yoshimi in #121
• Run black without a shell in do_black by @k-yoshimi in #122
• Import the Clebsch-Gordan module lazily and make parallelism configurable by @k-yoshimi in #123
• Update documentation to match current behaviour by @k-yoshimi in #125
• Add regression tests and a CI workflow by @k-yoshimi in #124
• Fix Wannier90 input for unequal Wyckoff multiplicities and centred lattices by @k-yoshimi in #127
• Restore the working directory and report missing files by @k-yoshimi in #130
• Report CLI errors clearly and exit with a non-zero status by @k-yoshimi in #131
• Keep the unit vectors of point-group models as primitive vectors by @k-yoshimi in #137
• Use the Wigner-Seitz degeneracies of hr.dat in wannier/symcw mode by @k-yoshimi in #132
• Run wannier mode with or without a model by @k-yoshimi in #134
• Fix the primitive cell of centred lattices and the default k path by @k-yoshimi in #136
• Document input keys, PDF failures and parallel jobs, and add tests by @k-yoshimi in #138
• Clarify parallel jobs, CLI errors and samb/parameter files in the docs by @k-yoshimi in #139
• Escape names in the PDF, remove a stale PDF, and check samb/parameter by @k-yoshimi in #140
• Keep the given cell for triclinic groups by @k-yoshimi in #141
• Use isinstance and specific exception types by @k-yoshimi in #142
• Set up the multipie logger instead of the root logger by @k-yoshimi in #143
• Remove packaging leftovers, fix .gitignore, and rename read_control by @k-yoshimi in #144
• Run the tests in parallel with pytest-xdist by @k-yoshimi in #146
• Keep loaded group data in memory and share it between Group objects by @k-yoshimi in #147
• Publish to TestPyPI and PyPI when a GitHub release is published by @k-yoshimi in #148
• Compute the lattice vector of cell bonds from the shifted primitive site positions by @k-yoshimi in #151
• Speed up Clebsch-Gordan coefficients, Wyckoff search and model saving by @k-yoshimi in #152
• Speed up the SAMB matrix construction by summing terms at once by @k-yoshimi in #153
• Speed up writing the SAMB matrix and building H(R) by @k-yoshimi in #154
• Order clusters of the same multiplicity by name by @k-yoshimi in #155
• Compute the phase factor of each lattice vector once in fourier_r_to_k by @k-yoshimi in #156
• Orthogonalize SAMB blocks in parallel by @k-yoshimi in #157
• Require Python 3.12 or later by @k-yoshimi in #158
• Correct the docs where they no longer match the code, and fix typos by @k-yoshimi in #159
• Link each magnetic space group to its own magnetic point group, and correct comments of the control file by @k-yoshimi in #160
• Build the documentation in CI and publish it from main by @k-yoshimi in #161
• Skip uncomputable values in the dispersion plot, use variables in plot_band.gnu, and fix the Gamma label by @k-yoshimi in #162
• Do not shift the dispersion plot by the Fermi energy twice by @k-yoshimi in #163
• Add DOS, Fermi energy from filling, fat band, eigen system output, and callbacks to mp_analyze by @k-yoshimi in #164
• Add a documentation page for the post-processing tools by @k-yoshimi in #165
• Test the cell-bond lattice vector for I and R lattices with sites off the c axis by @k-yoshimi in #166
• Change the license to the Mozilla Public License 2.0 by @k-yoshimi in #167
• Releasing for 2.4.0 by @hiro-k-phys in #170

New Contributors

• @k-yoshimi made their first contribution in #118

Full Changelog: v2.3.4...v2.4.0