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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
	<longdescription>
		Crystallographic Information File (CIF) Data Processing Tools //
		Provides a suite of functions to parse Crystallographic
		Information Files (.cif), extracting essential data such as
		chemical formulas, unit cell parameters, atomic coordinates,
		and symmetry operations. It also includes tools to calculate
		interatomic distances, identify bonded pairs using various
		algorithms (minimum_distance, brunner_nn_reciprocal, econ_nn,
		crystal_nn), determine nearest neighbor counts, and calculate
		bond angles. The package is designed to facilitate the
		preparation of crystallographic data for further analysis,
		including machine learning applications in materials science.
		Methods are described in: Brunner (1977)
		doi:10.1107/S0567739477000461; Hoppe (1979)
		doi:10.1524/zkri.1979.150.14.23; O'Keeffe (1979)
		doi:10.1107/S0567739479001765; Shannon (1976)
		doi:10.1107/S0567739476001551; Pan et al. (2021)
		doi:10.1021/acs.inorgchem.0c02996; Pauling (1960,
		ISBN:978-0801403330).
	</longdescription>
</pkgmetadata>
