Module multideterminant

Source
Expand description

Driver for symmetry analysis of multi-determinantal wavefunctions.

Structs§

MultiDeterminantRepAnalysisDriver
Driver structure for performing representation analysis on multi-determinantal wavefunctions.
MultiDeterminantRepAnalysisDriverBuilder
Builder for MultiDeterminantRepAnalysisDriver.
MultiDeterminantRepAnalysisParams
Structure containing control parameters for multi-determinantal wavefunction representation analysis.
MultiDeterminantRepAnalysisParamsBuilder
Builder for MultiDeterminantRepAnalysisParams.
MultiDeterminantRepAnalysisResult
Structure to contain multi-determinantal representation analysis results.
MultiDeterminantRepAnalysisResultBuilder
Builder for MultiDeterminantRepAnalysisResult.

Enums§

MultiDeterminantRepAnalysisDriverBuilderError
Error type for MultiDeterminantRepAnalysisDriverBuilder
MultiDeterminantRepAnalysisParamsBuilderError
Error type for MultiDeterminantRepAnalysisParamsBuilder
MultiDeterminantRepAnalysisResultBuilderError
Error type for MultiDeterminantRepAnalysisResultBuilder