moyo v0.4.3

What's Changed

Other changes

• Remove ipynb outputs by @lan496 in #88
• Add option to return primitive operations and bump up pyo3 by @lan496 in #90

Full Changelog: v0.4.2...v0.4.3

moyo v0.4.2

What's Changed

Other changes

• Drop numpy<2 pin by @janosh in #82

Full Changelog: v0.4.1...v0.4.2

moyo v0.4.1

What's Changed

🎉 New Features

• Serialize moyo datasets as python dict by @lan496 in #81

📔 Documentation

• Add example to reverse-lookup ITA number for HM symbol by @lan496 in #80

Other changes

• Enable uv cache by @lan496 in #75
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #76
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #78

Full Changelog: v0.4.0...v0.4.1

moyo v0.4.0

What's Changed

🛠 Breaking Changes

• Bump up nalgebra and other crates by @lan496 in #74

Other changes

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #72
• Tidy justfile by @lan496 in #73

Full Changelog: v0.3.5...v0.4.0

moyo v0.3.5

What's Changed

🎉 New Features

• Python interface for MSG by @lan496 in #71

Other changes

• refactor by @lan496 in #70

Full Changelog: v0.3.4...v0.3.5

moyo v0.3.4

What's Changed

🎉 New Features

• Try to take un-skewed basis vectors for monoclinic by @lan496 in #69

Full Changelog: v0.3.3...v0.3.4

moyo v0.3.3

What's Changed

🎉 New Features

• Add Pearson symbol in MoyoDataset by @lan496 in #68

Other changes

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #67

Full Changelog: v0.3.2...v0.3.3

moyo v0.3.2

What's Changed

🎉 New Features

• Add MoyoDataset.__str__ by @janosh in #59
• Support MSONAtoms in MoyoAdapter by @janosh in #60
• Add python interface for space-group type: moyopy.SpaceGroupType by @lan496 in #65

Other changes

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #58
• Add sankey diagram analysis by @lan496 in #61
• more offset search for wyckoff position assignment by @lan496 in #64

Full Changelog: v0.3.1...v0.3.2

moyo v0.3.1

What's Changed

🎉 New Features

• Add MoyoAdapter.from_py_obj convenience method for generic structure conversion by @janosh in #55

🐞 Bug fixes

• Search [-1, 1] transformation matrix first by @lan496 in #57

Other changes

• Separate stub files by @lan496 in #53
• disable codecov in forked PR by @lan496 in #56

New Contributors

• @janosh made their first contribution in #55

Full Changelog: v0.3.0...v0.3.1

moyo v0.3.0

What's Changed

• Refactor to add Operations.iter() by @lan496 in #40
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #42
• Magnetic operation search by @lan496 in #44
• Hide internal APIs and optimize performance by @lan496 in #45
• Update MP benchmark by @lan496 in #46
• Magnetic Hall symbol DB by @lan496 in #47
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #48
• Magnetic space group identification and standardization by @lan496 in #41
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #49
• gh-release by @lan496 in #50
• Clarify unit of angle_tolerance and check too large angle_tolerance by @lan496 in #51

Full Changelog: v0.2.3...v0.3.0