Crystals

Latest version: v1.7.0

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1.7.0

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* Added support for NumPy 2, in addition to NumPy 1.

1.6.2

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* Fixed an issue where the `crystals` version was not correctly interpolated when writing CIFs (14).
* Added file name to some parser warnings (15).
* Added support for spglib 2.0.
* Added explicit testing for Python 3.10 and Python 3.11.

1.6.1

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* Fixed an issue where writing some crystal structures to CIF did not work correctly (13).

1.6.0

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* Added the :meth:`Crystal.groupby` method to group unit cell atoms by site-symmetry (12).

1.5.0

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* Added some typing information.
* Added the :attr:`Supercell.scaled_lattice_vectors` property and associated documentation (11).
* Protein Data Bank downloads are now done through HTTPS rather than FTP, which is recommended by the RCSB data bank.
* Fixed some documentation formatting.

1.4.1

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* Fixed an issue with the `tag` attribute of `Atom` not being propagated properly (9).

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