Module qsym2::bindings::python::representation_analysis::multideterminant

source ·
Expand description

Python bindings for QSym² symmetry analysis of Slater determinants.

Functions§

  • rep_analyse_multideterminants_eager_basis
    Python-exposed function to perform representation symmetry analysis for real and complex multi-determinantal wavefunctions constructed from an eager basis of Slater determinants and log the result via the qsym2-output logger at the INFO level.
  • rep_analyse_multideterminants_orbit_basis
    Python-exposed function to perform representation symmetry analysis for real and complex multi-determinantal wavefunctions constructed from group-generated orbits and log the result via the qsym2-output logger at the INFO level.