Expand description
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.