Module vibration_analysis

Source
Expand description

Implementation of symmetry analysis for vibrational coordinates.

Structs§

VibrationalCoordinateSymmetryOrbit
Structure to manage symmetry orbits (i.e. orbits generated by symmetry groups) of vibrational coordinates.
VibrationalCoordinateSymmetryOrbitBuilder
Builder for VibrationalCoordinateSymmetryOrbit.

Enums§

VibrationalCoordinateSymmetryOrbitBuilderError
Error type for VibrationalCoordinateSymmetryOrbitBuilder