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-outputlogger at theINFOlevel. - 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-outputlogger at theINFOlevel.