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I can't believe it's NonAbelian!

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MolSym

A python package for handling molecular symmetry.

Capabilities

  • Point group detection
  • Symmetry element generation
  • Character table generation
  • SALC generation for atomic basis functions, internal coordinates, and cartesian coordinates

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I can't believe it's NonAbelian!

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  • Python 98.5%
  • Jupyter Notebook 1.5%