[][src]Crate spglib

The spglib crate provides a Rust-y wrapper to spglib, a C library for finding and handling crystal symmetries.

Modules

cell

Data structures and methods which apply to or operate on a crystalline cell

dataset

Crystallographic dataset for a given structure

spacegroup

Full description of a crystallographic spacegroup

Structs

DelaunayReduceError

Error raised when a cell cannot be reduced with the Delaunay reduction scheme

NiggliReduceError

Error raised when a cell cannot be reduced with the Niggli reduction scheme

StandardizeError

Error raised when a cell cannot be standardized

Functions

hall_number_from_symmetry

Returns the hall number for a given set of symmetry operations

major_version

Returns the major version of spglib

micro_version

Returns the micro version of spglib

minor_version

Returns the minor version of spglib