Module vibrational_coordinate

Python bindings for QSym² symmetry analysis of vibrational coordinates.

Structs

PyVibrationalCoordinateCollectionComplex

Python-exposed structure to marshall complex vibrational coordinate collections between Rust and Python.

PyVibrationalCoordinateCollectionReal

Python-exposed structure to marshall real vibrational coordinate collections between Rust and Python.

Enums

PyVibrationalCoordinateCollection

Python-exposed enumerated type to handle the union type PyVibrationalCoordinateCollectionReal | PyVibrationalCoordinateCollectionComplex in Python.

Functions

rep_analyse_vibrational_coordinate_collection

Python-exposed function to perform representation symmetry analysis for real and complex vibrational coordinate collections and log the result via the qsym2-output logger at the INFO level.