Change Log

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