Doped

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- ``doped`` now installable from ``conda-forge``! 🎉
- Major overhaul of primary parsing workflow (in ``defect_entry_from_paths()``):
- Automatic charge-state determination (throwing warning when user specification doesn't match auto-determined)
- Automatic charge correction determination and application
- Improved error handling and more informative warning messages
- Add ``test_defectsmaker.py``, ``test_corrections.py`` and ``test_analysis.py`` -> significantly improve test coverage
- Add ``_convert_dielectric_to_tensor()`` function to be more flexible to user input
- Remove old unsupported/deprecated code.
- Add check and warning if multiple output files (``vasprun.xml``/``OUTCAR``/``LOCPOT``) present in bulk/defect directory.
- Minor bug fixes, formatting, docstrings improvement, the usual
- Add and remove ``TODO``\ s

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- Start keeping a ``CHANGELOG``
- ``README`` updates to give step-by-step instructions on setting up MP API key, ``POTCAR``\ s for ``pymatgen`` and virtual ``conda`` environments for ``doped`` and ``ShakeNBreak``
- Major overhaul of ``vasp_input`` functions setup to be far more streamlined and customisable.
- Major overhaul of ``chemical_potentials`` code; now with improved algorithm for selecting potential competing phases
- Update of example notebooks
- Add tests for parsing calculations, chemical_potentials and vasp_input
- Add GH Actions workflows (for tests, GH releases and pypi packaging)
- Adopt recommended versioning convention based on dates
- General tidy up, docstring padding, formatting and ``TODO`` addition/removal
- Ensure all inputs/outputs are ``JSON``\able, now recommending this for better forward/backward compatibility
- Refactor ``dope_stuff`` to ``plotting`` and ``analysis`` to be more clear and PROfessional, yo
- Refactor from hard-coded defaults / slightly-less-human-readable ``json`` files to ``yaml`` files with default settings.
- Refactor ``defectsmaker`` output, more efficient, cleaner and informative