Module qsym2::drivers::representation_analysis::vibrational_coordinate

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