Module vibration

Source
Expand description

Vibrational coordinates for normal modes.

Modules§

vibration_analysis
Implementation of symmetry analysis for vibrational coordinates.

Structs§

VibrationalCoordinate
Structure to manage vibrational coordinates.
VibrationalCoordinateBuilder
Builder for VibrationalCoordinate.
VibrationalCoordinateCollection
Structure to manage multiple vibrational coordinates of a single molecule.
VibrationalCoordinateCollectionBuilder
Builder for VibrationalCoordinateCollection.

Enums§

VibrationalCoordinateBuilderError
Error type for VibrationalCoordinateBuilder
VibrationalCoordinateCollectionBuilderError
Error type for VibrationalCoordinateCollectionBuilder