[−][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 |