Recent Releases of https://github.com/singularitti/spglib.jl
https://github.com/singularitti/spglib.jl - v0.9.4
Spglib v0.9.4
Merged pull requests:
- Resolve memory unsafety in unpacking C enum (#184) (@kbarros)
- Add tests to get_error_code (#185) (@singularitti)
- Restrict spglib_jll.jl to up to 2.1.0 (#186) (@singularitti)
Closed issues: - Spglib v2.2.0 has made changes that break some tests (#178) - Symmetry Operations on Cell not working (#182) - Memory corruption in 0.9.3 (#183)
- Julia
Published by github-actions[bot] about 2 years ago
https://github.com/singularitti/spglib.jl - v0.9.3
Spglib v0.9.3
Merged pull requests:
- Switch SpglibReturnCode from Enum to sum types (#179) (@singularitti)
- CompatHelper: add new compat entry for SumTypes at version 0.5, (keep existing compat) (#180) (@github-actions[bot])
- Julia
Published by github-actions[bot] about 2 years ago
https://github.com/singularitti/spglib.jl - v0.9.2
Spglib v0.9.2
Merged pull requests: - Fix wyckoffs in dataset (#177) (@singularitti)
Closed issues: - BoundsError on get_dataset (#176)
- Julia
Published by github-actions[bot] about 2 years ago
https://github.com/singularitti/spglib.jl - v0.9.1
Spglib v0.9.1
Merged pull requests:
- Fix showing magmoms (non-collinear) for SpglibCells (#175) (@singularitti)
- Julia
Published by github-actions[bot] about 2 years ago
https://github.com/singularitti/spglib.jl - v0.9.0
Spglib v0.9.0
Merged pull requests:
- Include magnetic.jl (#166) (@singularitti)
- Fix get_magnetic_dataset & get_symmetry_with_collinear_spin, add more tessts (#168) (@singularitti)
- Deprecate convert, use constructors (#169) (@singularitti)
- Fix the constructors of MagneticSpacegroupType & get_magnetic_spacegroup_type (#170) (@singularitti)
- Change field time_reversals of MagneticDataset to BitVector (#171) (@singularitti)
- Fix get_symmetry_with_site_tensors (#172) (@singularitti)
- Add "Test get_magnetic_spacegroup_type_from_symmetry" (#173) (@singularitti)
- Use ReducedCoordinates in SpglibCell (#174) (@singularitti)
Closed issues: - src/magnetic.jl (#164)
- Julia
Published by github-actions[bot] about 2 years ago
https://github.com/singularitti/spglib.jl - v0.8.5
Spglib v0.8.5
Merged pull requests:
- Add 1 to equivalent_atoms, crystallographic_orbits, mapping_to_primitive & std_mapping_to_primitive in convert for Dataset from SpglibDataset (#159) (@singularitti)
- Improve the performance of _expand_cell even further by removing all type instabilities (#160) (@singularitti)
- CompatHelper: bump compat for CrystallographyCore to 0.5, (keep existing compat) (#162) (@github-actions[bot])
- CompatHelper: bump compat for CrystallographyCore to 0.6, (keep existing compat) (#163) (@github-actions[bot])
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.8.4
Spglib v0.8.4
Merged pull requests: - Update docs (#156) (@singularitti)
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.8.3
Spglib v0.8.3
Merged pull requests:
- Fix atoms info removed by standardize_cell (#152) (@singularitti)
- Use rationals in eachpoint (#154) (@mfherbst)
Closed issues:
- Behavior of standardize_cell(cell).atoms (#150)
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.8.2
Spglib v0.8.2
Merged pull requests:
- Fix atoms info removed by standardize_cell (#152) (@singularitti)
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.8.1
Spglib v0.8.1
Merged pull requests: - Bump actions/checkout from 3 to 4 (#147) (@dependabot[bot]) - CompatHelper: bump compat for CrystallographyCore to 0.3, (keep existing compat) (#148) (@github-actions[bot])
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.8.0
Spglib v0.8.0
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])
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.7.0
Spglib v0.7.0
What's Changed
- Replace StructHelpers.jl with StructEquality.jl by @singularitti in https://github.com/singularitti/Spglib.jl/pull/112
- CompatHelper: add new compat entry for StructEquality at version 2, (keep existing compat) by @github-actions in https://github.com/singularitti/Spglib.jl/pull/113
Full Changelog: https://github.com/singularitti/Spglib.jl/compare/v0.6.2...v0.7.0
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.6.2
Spglib v0.6.2
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])
- Julia
Published by github-actions[bot] over 2 years ago
https://github.com/singularitti/spglib.jl - v0.6.1
Spglib v0.6.1
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)
- Julia
Published by github-actions[bot] over 3 years ago
https://github.com/singularitti/spglib.jl - v0.6.0
Spglib v0.6.0
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)
- Julia
Published by github-actions[bot] over 3 years ago
https://github.com/singularitti/spglib.jl - v0.5.3
Spglib v0.5.3
Merged pull requests: - Use show instead of display when overriding show (#88) (@jaemolihm)
- Julia
Published by github-actions[bot] about 4 years ago
https://github.com/singularitti/spglib.jl - v0.5.2
Spglib v0.5.2
Closed issues: - Register v0.5.1 (#83)
Merged pull requests:
- Fix type-instability in lattice-field of Cell (#84) (@thchr)
- Julia
Published by github-actions[bot] about 4 years ago
https://github.com/singularitti/spglib.jl - v0.5.1
Spglib v0.5.1
Merged pull requests:
- Replace AutoHashEquals.@auto_hash_equals to StructHelpers.@batteries in src/collections/types.jl (#81) (@singularitti)
- Fix docs (#82) (@singularitti)
- Julia
Published by github-actions[bot] over 4 years ago
https://github.com/singularitti/spglib.jl - v0.5.0
Spglib v0.5.0
Closed issues: - Handle NULL return value for spggetdataset() (#76)
Merged pull requests:
- New version: v0.4.1 (#75) (@singularitti)
- Add getdatasetwithhallnumber and NULL checks (#77) (@kbarros)
- Add get_dataset_with_hall_number to api.md (#79) (@singularitti)
- New version: v0.5.0 (#80) (@singularitti)
- Julia
Published by github-actions[bot] over 4 years ago
https://github.com/singularitti/spglib.jl - v0.4.1
Spglib v0.4.1
Closed issues: - Register v0.4.0 (#73)
Merged pull requests:
- Change StructEquality.@def_structequal to AutoHashEquals.@auto_hash_equals (#74) (@singularitti)
- Julia
Published by github-actions[bot] over 4 years ago
https://github.com/singularitti/spglib.jl - v0.4.0
Spglib v0.4.0
Closed issues: - Register v0.3.1 (#70)
Merged pull requests: - Add getsymmetryfrom_database() (#71) (@kbarros)
- Julia
Published by github-actions[bot] over 4 years ago
https://github.com/singularitti/spglib.jl - v0.3.1
Spglib v0.3.1
Closed issues: - register version 0.3.0 (#67)
Merged pull requests: - test and fixed unknown keyword (#68) (@harrisonlabollita)
- Julia
Published by github-actions[bot] over 4 years ago
https://github.com/singularitti/spglib.jl - v0.3.0
Spglib v0.3.0
Closed issues: - Register v0.2.0 (#65)
Merged pull requests: - getspacegroupnumber function (#66) (@harrisonlabollita)
- Julia
Published by github-actions[bot] over 4 years ago
https://github.com/singularitti/spglib.jl - v0.2.0
Spglib v0.2.0
Closed issues:
- Should get_ir_reciprocal_mesh return mapping with index starting from 1, not 0? (#56)
- Unify error return type (#61)
Merged pull requests:
- Breaking: Make get_ir_reciprocal_mesh & get_stabilized_reciprocal_mesh return mapping with index starting from 1, not 0 (#59) (@singularitti)
- Unify error return type (#62) (@singularitti)
- Move reciprocal tests from CrystallographyBase.jl to here (#63) (@singularitti)
- Nonbreaking: Rename some variables in code (#64) (@singularitti)
- Julia
Published by github-actions[bot] over 4 years ago
https://github.com/singularitti/spglib.jl - v0.1.1
Spglib v0.1.1
Closed issues: - Register v0.1.0 (#40)
- Julia
Published by github-actions[bot] almost 5 years ago
https://github.com/singularitti/spglib.jl - v0.1.0
Spglib v0.1.0
Closed issues:
- Set all symprec value to the same value (#36)
Merged pull requests:
- Write APIs using Clang.jl (#1) (@singularitti)
- Rewrite some APIs in FFI.jl (#2) (@singularitti)
- Use spglibjll.jl as C binary source (#3) (@singularitti)
- Add test for `getspacegrouptype(#4) (@searchengineorientprogramming)
- Add functiongetmultiplicity,getirreciprocalmesh&getstabilizedreciprocalmesh(#5) (@singularitti)
- Add new APIs (#6) (@singularitti)
- CompatHelper: add new compat entry for "Setfield" at version "0.5" (#11) (@github-actions[bot])
- CompatHelper: add new compat entry for "Compat" at version "3.0" (#12) (@github-actions[bot])
- CompatHelper: add new compat entry for "Parameters" at version "0.12" (#13) (@github-actions[bot])
- CompatHelper: add new compat entry for "CoordinateTransformations" at version "0.5" (#14) (@github-actions[bot])
- CompatHelper: bump compat for "Parameters" to "0.12" (#15) (@github-actions[bot])
- CompatHelper: bump compat for "Setfield" to "0.5" (#16) (@github-actions[bot])
- CompatHelper: bump compat for "Compat" to "3.0" (#17) (@github-actions[bot])
- CompatHelper: bump compat for "Setfield" to "0.6" (#18) (@github-actions[bot])
- Install TagBot as a GitHub Action (#19) (@JuliaTagBot)
- CompatHelper: bump compat for "CoordinateTransformations" to "0.6" (#20) (@github-actions[bot])
- CompatHelper: bump compat for "Setfield" to "0.7" (#21) (@github-actions[bot])
- Remove Parameters.jl (#22) (@singularitti)
- Fix CI (#23) (@singularitti)
- FixFFImodule (#24) (@singularitti)
- Rename FFI.jl to ffi.jl, DataModel.jl to model.jl, deprecate corresponding modules (#25) (@singularitti)
- CompatHelper: add new compat entry for "UnPack" at version "1.0" (#26) (@github-actions[bot])
- Redefine some types in model.jl (#27) (@singularitti)
- Fixgetirreciprocalmesh&getsymmetry!(#28) (@singularitti)
- CompatHelper: add new compat entry for "DataStructures" at version "0.18" (#29) (@github-actions[bot])
- Rewritenigglireduce,delaunayreduce,standardizecell, etc. (#30) (@singularitti)
- Fix conversion betweenDataset&SpglibDataset(#31) (@singularitti)
- Fix conversion between Dataset & SpglibDataset (#32) (@singularitti)
- Fix conversion betweenSpaceGroup&SpglibSpacegroupType(#33) (@singularitti)
- Miscellaneous changes (#34) (@singularitti)
- Remove some deps (#35) (@singularitti)
- Fixgetsymmetrywithcollinearspin(#37) (@singularitti)
- Update docs & fixnigglireduce!&delaunayreduce!(#38) (@singularitti)
- Split ffi.jl into 4 files & solvespglibjllbefore v1.15.0 (#39) (@singularitti)
- Add some more tests (#41) (@singularitti)
- FixCell&standardizecell(#42) (@singularitti)
- CompatHelper: add new compat entry for "StructEquality" at version "1.0" (#43) (@github-actions[bot])
- CompatHelper: add new compat entry for "StaticArrays" at version "1.2" (#44) (@github-actions[bot])
- FixSpglibDataset's conversions & add some tests (#46) (@singularitti)
- Fix more tests (#47) (@singularitti)
- Set all symprec value to the same value:1e-5(#48) (@singularitti)
- Fix conversion ofDataset(#49) (@singularitti)
- Rewritenigglireduce!&delaunayreduce!to non-inplace version (#50) (@singularitti)
- Update docs (#51) (@singularitti)
- Makewyckoffsa vector ofChars (#52) (@singularitti)
- Fixgetsymmetry` & change its return type (#53) (@singularitti)
- Julia
Published by github-actions[bot] almost 5 years ago