Cctk

minor stuff, just some surprising undocumented behavior I'm removing

No feature enhancements - bringing things more in line with Python best practices, to remove warning messages from e.g. ``pkg_resources`` (which is moving towards deprecation). Linting also caught some bugs...

Vastly improved parsing of ORCA files.

As the title implies.

As the title describes, for *presto*.

A few relatively minor changes, mostly centered around ``xtb``/``presto`` integration.

- New ``PointCharge`` class which can be added to Gaussian input files.
- ``fail_silently`` option enabled for ``GaussianFile.read_file()``, which allows you to check in-progress jobs without a ``try...catch`` loop.
- ``Molecule.csearch()`` now allows non-``GFN2`` levels of theory, and can pass command-line arguments to ``xtb.``
- Automatic SI generation with `` SIFile.py`` now allows all ``.xyz`` files to be written to a new directory as well.
- Various minor improvements to Gaussian File parsing to handle edge cases.