TODO.taskpaper

Working with molecular systems / point groups:
    - Ideally the code should handle non-periodic pymatgen Structure objects.
    - A possibly extra idea is for CoordinateConfigSpace objects to be able to identify their own symmetries (given appropriate site labels)

pymatgen requirements:
    - At the moment the requirements file imports from my own fork of pymatgen. If it works with the latest release, this should use the main public release