Module vibrational_coordinate

Source
Expand description

Driver for symmetry analysis of vibrational coordinates.

Structs§

VibrationalCoordinateRepAnalysisDriver
Driver structure for performing representation analysis on vibrational coordinates.
VibrationalCoordinateRepAnalysisDriverBuilder
Builder for VibrationalCoordinateRepAnalysisDriver.
VibrationalCoordinateRepAnalysisParams
Structure containing control parameters for vibrational coordinate representation analysis.
VibrationalCoordinateRepAnalysisParamsBuilder
Builder for VibrationalCoordinateRepAnalysisParams.
VibrationalCoordinateRepAnalysisResult
Structure to contain vibrational coordinate representation analysis results.
VibrationalCoordinateRepAnalysisResultBuilder
Builder for VibrationalCoordinateRepAnalysisResult.

Enums§

VibrationalCoordinateRepAnalysisDriverBuilderError
Error type for VibrationalCoordinateRepAnalysisDriverBuilder
VibrationalCoordinateRepAnalysisParamsBuilderError
Error type for VibrationalCoordinateRepAnalysisParamsBuilder
VibrationalCoordinateRepAnalysisResultBuilderError
Error type for VibrationalCoordinateRepAnalysisResultBuilder