Module python

Source
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Python bindings for QSym².

Modules§

integrals
Python bindings for QSym² atomic-orbital integral evaluations.
molecule_symmetrisation
Python bindings for QSym² molecule symmetrisation by bootstrapping.
representation_analysis
Python bindings for QSym² symmetry analysis via representation and corepresentation theories.
symmetry_group_detection
Python bindings for QSym² symmetry-group detection.

Functions§

qsym2
Python module for QSym² implemented in Rust.