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Commits 18th - 20th April 2023 (cfd7b40 and few preceding) for main changes.
Todo:
Mapping to ePS term symbols, see previous work in ePSman for this.
Aug 2024 update: see CO2 work (theory_symmetry_140723_CO2-Dinfh-ePScompUpdate.ipynb ) for updated ePS comparisons and tests. Still needs some work on m/mu mapping.
Verification of m and mu mappings, inc. degeneracies and phases. May still have issues here, should check phase terms and also dipole mapping (
Now mostly in place, using
libmsym
base routines and trimmings.Todo:
theory_symmetry_140723_CO2-Dinfh-ePScompUpdate.ipynb
) for updated ePS comparisons and tests. Still needs some work on m/mu mapping.PEMtk/pemtk/sym/_dipoleTerms.py
Line 72 in d498762
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