xtalforge-core 1.4.0

Core crystal-structure types for xtalforge: elements, lattices, sites and structures.
Documentation
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//! Local environments: Voronoi, coordination, shape measures and RDF.

pub mod coordination;
pub mod rdf;
pub mod shapes;
pub mod voronoi;

pub use coordination::{
    CoordinationNeighbor, CoordinationShell, CoordinationStrategy, coordination,
};
pub use rdf::{
    AngleDistribution, RadialDistribution, RdfOptions, StructureFingerprint,
    bond_angle_distribution, fingerprint, radial_distribution,
};
pub use shapes::{ShapeMeasure, shape_measures};
pub use voronoi::{VoronoiCell, VoronoiNeighbor, VoronoiReport, voronoi};