Module slater_determinant

Source
Expand description

Python bindings for QSym² symmetry analysis of Slater determinants.

Structs§

PySlaterDeterminantComplex
Python-exposed structure to marshall complex Slater determinant information between Rust and Python.
PySlaterDeterminantReal
Python-exposed structure to marshall real Slater determinant information between Rust and Python.
PySlaterDeterminantRepAnalysisResult
Python-exposed structure storing the results of Slater determinant representation analysis.

Enums§

PySlaterDeterminant
Python-exposed enumerated type to handle the union type PySlaterDeterminantReal | PySlaterDeterminantComplex in Python.

Functions§

rep_analyse_slater_determinant
Python-exposed function to perform representation symmetry analysis for real and complex Slater determinants and log the result via the qsym2-output logger at the INFO level.