pemtk.sym package

Submodules

• pemtk.sym.symHarm module
  • symHarm
    • symHarm.allowedProductsTable()
    • symHarm.assignMissingSym()
    • symHarm.assignMissingSymProd()
    • symHarm.assignSymMuTerms()
    • symHarm.calcSymHarmonics()
    • symHarm.dipoleTerms()
    • symHarm.directProduct()
    • symHarm.directProductContinuum()
    • symHarm.directProductDipole()
    • symHarm.displayXlm()
    • symHarm.getIrreps()
    • symHarm.getSymOps()
    • symHarm.plotXlm()
    • symHarm.printCharacterTable()
    • symHarm.scatSym()
    • symHarm.setCharTablePD()
    • symHarm.setCoeffsPD()
    • symHarm.setCoeffsSH()
    • symHarm.setCoeffsXR()
    • symHarm.set_basis()
    • symHarm.set_lm_basis()
    • symHarm.toePSman()
    • symHarm.toePSproc()

Module contents

Symmetry-related functions for PEMtk and general use.

24/02/22 v1 from dev notes, mainly using libmsym on backend.

libmsym:

• Git: https://github.com/mcodev31/libmsym

• Manuscript: https://link.springer.com/article/10.1186/s13321-017-0193-3

• Supported point groups: Ci, Cs, Cnv, Dn, Dnh, Dnd, Td, O, Oh, I and Ih

For Spherical Harmonic conversion and handling, implements pySHtools. See https://shtools.oca.eu/shtools/public/index.html