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New version: AtomicSymmetries v0.4.0 #124793

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@JuliaRegistrator JuliaRegistrator commented Feb 11, 2025

# New features
- The FC symmetrization can now occur in Cartesian space using `symmetrize_fc!` and `symmetrize_vector!`
- Bugfix on the IRT on the FC symmetrization and added a robust test vs CellConstructor on a 4x4x4 supercell with a nondiagonal primitive cell (over 1000 symmetries including translations and 128 atoms)
- Added the possibility of converting into crystalline and cartesian coordinates the FC matrix

# Breaking changes
- The symmetrization in the cartesian space is now done via
```julia
# New symmetrization
symmetrize_fc!(fc, cell, sym_group)

# Old symmetrization (good only for the FC in crystalline)
sym_group.symmetrize_fc!(fc)
```

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UUID: 7e24f7a5-8a44-4f91-9a93-7ee03df51e54
Repo: https://github.com/mesonepigreco/AtomicSymmetries.jl.git
Tree: fe469565ad39f4cb4a9be1bf75291909f11c4cfe

Registrator tree SHA: 17aec322677d9b81cdd6b9b9236b09a3f1374c6a
@JuliaRegistrator JuliaRegistrator force-pushed the registrator-atomicsymmetries-7e24f7a5-v0.4.0-6ab072e816 branch from 93e24cc to b427767 Compare February 11, 2025 14:58
@JuliaTagBot JuliaTagBot merged commit e57124a into master Feb 11, 2025
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@JuliaTagBot JuliaTagBot deleted the registrator-atomicsymmetries-7e24f7a5-v0.4.0-6ab072e816 branch February 11, 2025 15:09
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