v0.8.0

Spglib v0.8.0

Diff since v0.7.0

Closed issues:

• Make all symprec converted to Cdouble (#45)
• Changing Cell (#91)

Merged pull requests:

• Added a new file error.jl with the SpglibError enumeration (#115) (@singularitti)
• Replace get_hall_number_from_symmetry with get_spacegroup_type_from_symmetry in v2.0+ (#116) (@singularitti)
• Rename SpglibError to SpglibReturnCode to better match its usage (#117) (@singularitti)
• Use CrystallographyCore.jl Cell & other functions (#118) (@singularitti)
• Change field types of Dataset to Lattice (#119) (@singularitti)
• Add types SpglibMagneticDataset & MagneticDataset in src/magnetic.jl (#120) (@singularitti)
• Rewrite functions about symmetry (#121) (@singularitti)
• Update magnetic interface (#122) (@singularitti)
• Fix some code (#123) (@singularitti)
• Add more docs (#124) (@singularitti)
• Merge MagneticCell & Cell into SpglibCell (#126) (@singularitti)
• Update docs (#128) (@singularitti)
• Add more tests & fix core.jl (#130) (@singularitti)
• Update tests in dataset.jl (#132) (@singularitti)
• CompatHelper: add new compat entry for CrystallographyCore at version 0.1, (keep existing compat) (#135) (@github-actions[bot])
• Fix code in src/symmetry.jl & add more tests (#136) (@singularitti)
• Define hash, ==, isequal on SpglibCell & Dataset (#137) (@singularitti)
• Fix niggli_reduce & delaunay_reduce (#138) (@singularitti)
• Add more tests for get_ir_reciprocal_mesh (#139) (@singularitti)
• Polish code (#141) (@singularitti)
• Fix API for get_spacegroup_type_from_symmetry & get_hall_number_from_symmetry (#143) (@singularitti)
• Add eachpoint & MeshResult, fix get_stabilized_reciprocal_mesh (#144) (@singularitti)
• Fix get_stabilized_reciprocal_mesh (#145) (@singularitti)
• CompatHelper: bump compat for CrystallographyCore to 0.2, (keep existing compat) (#146) (@github-actions[bot])

v0.7.0

Spglib v0.7.0

Diff since v0.6.2

What's Changed

• Replace StructHelpers.jl with StructEquality.jl by @singularitti in #112
• CompatHelper: add new compat entry for StructEquality at version 2, (keep existing compat) by @github-actions in #113

Full Changelog: v0.6.2...v0.7.0

v0.6.2

Spglib v0.6.2

Diff since v0.6.1

Closed issues:

• find_primitive results in errors if the result is 3 atoms (#99)

Merged pull requests:

• Bump peter-evans/create-pull-request from 4 to 5 (#110) (@dependabot[bot])
• CompatHelper: bump compat for StructHelpers to 1, (keep existing compat) (#111) (@github-actions[bot])

v0.6.1

Spglib v0.6.1

Diff since v0.6.0

Closed issues:

• niggli_reduce getting wrong results (#106)

Merged pull requests:

• Allow Cell.magmoms to be nothing by default (#97) (@singularitti)
• Bump peter-evans/create-pull-request from 3 to 4 (#100) (@dependabot[bot])
• Bump actions/checkout from 2 to 3 (#101) (@dependabot[bot])
• Bump codecov/codecov-action from 2 to 3 (#102) (@dependabot[bot])
• Fix bug in niggli_reduce (#107) (@zhubonan)

v0.6.0

Spglib v0.6.0

Diff since v0.5.3

Closed issues:

• New version: 0.5.3 (#89)

Merged pull requests:

• Update doc templates (#92) (@singularitti)
• Remove N from def of Cell to make it more type stable (#94) (@singularitti)

v0.5.3

Spglib v0.5.3

Diff since v0.5.2

Merged pull requests:

• Use show instead of display when overriding show (#88) (@jaemolihm)

v0.5.2

Spglib v0.5.2

Diff since v0.5.1

Closed issues:

• Register v0.5.1 (#83)

Merged pull requests:

• Fix type-instability in lattice-field of Cell (#84) (@thchr)

v0.5.1

Spglib v0.5.1

Diff since v0.5.0

Merged pull requests:

• Replace AutoHashEquals.@auto_hash_equals to StructHelpers.@batteries in src/collections/types.jl (#81) (@singularitti)
• Fix docs (#82) (@singularitti)

v0.5.0

Spglib v0.5.0

Diff since v0.4.1

Closed issues:

• Handle NULL return value for spg_get_dataset() (#76)

Merged pull requests:

• New version: v0.4.1 (#75) (@singularitti)
• Add get_dataset_with_hall_number and NULL checks (#77) (@kbarros)
• Add get_dataset_with_hall_number to api.md (#79) (@singularitti)
• New version: v0.5.0 (#80) (@singularitti)

v0.4.1

Spglib v0.4.1

Diff since v0.4.0

Closed issues:

• Register v0.4.0 (#73)

Merged pull requests:

• Change StructEquality.@def_structequal to AutoHashEquals.@auto_hash_equals (#74) (@singularitti)