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Change Log

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog 1.1.0, and this project adheres to Semantic Versioning.

v0.6.0 (27 Apr. 2026)

Changed

  • Physically irreducible representations (real=True) are now defined on the little group of $\pm\mathbf{k}$ instead of only the little group of $\mathbf{k}$, following docs/formulation/irreps/reality.md. This fixes the output carrier for $2\mathbf{k} \not\equiv \mathbf{0}$ k-points. A new helper get_little_group_of_pm_k is available in spgrep.symmetry.group.

Fixed

  • Co-representation extension formula for a_0 u in all three Frobenius-Schur cases (_enumerate_small_corepresentations_with_factor_system in spgrep.corep): the right operand is now complex-conjugated as required by the co-representation multiplication law. The previous output violated the law whenever the source irrep of the unitary subgroup had non-real matrices. enumerate_spinor_small_corepresentations inherits the fix since it delegates to the same helper.

v0.5.0 (19 Jan. 2026)

  • The following modules are separated into subpackages: spgrep.group, spgrep.representation, spgrep.pointgroup, spgrep.irreps, spgrep.tensor, and spgrep.transform.
  • Port enumerate_point_subgroup from spgrep-modulation
  • Require spglib>=2.7 as dependency

v0.4.0 (15 Nov. 2025)

  • Drop Python 3.9 support

v0.3.11 (22 Jun. 2025)

  • Further fix bug in physically irreducible representation

v0.3.9 (21 Jun. 2025)

  • Fix bug in physically irreducible representation

v0.3.6 (18 Feb. 2025)

  • Drop support for Python 3.8

v0.3.5 (18 Jun. 2024)

  • Make compatible with NumPy 2.0.0

v0.3.3 (11 Jan. 2023)

  • Improve comparison between linear subspaces [#53]
    • Use Grassmann distance to measure linear subspaces: {func}spgrep.utils.grassmann_distance
    • Drop spgrep.utils.contain_space

v0.3.2 (28 Dec. 2022)

  • Clean documents and add JOSS draft [#50]

v0.3.1 (15 Dec. 2022)

  • Add co-representation [#47]
    • New functions to compute co-representations for spinor
      • {func}spgrep.get_spacegroup_spinor_irreps
      • {func}spgrep.get_spacegroup_spinor_irreps_from_primitive_symmetry
      • {func}spgrep.get_crystallographic_pointgroup_spinor_irreps_from_symmetry
    • Require a newer spglib as dependency: spglib>=2.0.2

v0.3.0 (17 Nov. 2022)

  • Add spinor representation [#41]

v0.2.12

  • Generate symmetric tensor by Erdös method {func}spgrep.tensors.get_symmetry_adapted_tensors and {func}spgrep.tensors.apply_intrinsic_symmetry
  • Fix induced representation

v0.2.11

  • Add physically irreducible representation of space group
  • Newly return Frobenius-Schur indicator from enumerate_small_representations and enumerate_unitary_irreps

v0.2.9

  • Add example notebooks

v0.2.8

Initial release to PyPI

  • Calculate irreducible representations (irreps) of space groups: {func}spgrep.get_spacegroup_irreps and {func}spgrep.get_spacegroup_irreps_from_primitive_symmetry
  • Calculate irreps of crystallographic point groups: {func}spgrep.get_crystallographic_pointgroup_irreps_from_symmetry
  • Calculate physically irreducible representations (irreps over real numbers)
  • Apply projection operator: {func}spgrep.representation.project_to_irrep
  • Unique decomposition of crystallographic point group: {func}spgrep.pointgroup.get_pointgroup_chain_generators