Quickmin-step

* Added control to allow a single point energy as well as optimization. This
supports using QuickMin with e.g energy scans.
* Standardized the name of the energy to simply "energy" to better support other
plug-ins and codes understanding the results.

Error putting the coordinates into a newly created configuration.

2023.10.30 -- Enhanced structure handling.
Switched to standard handling of structures, which adds ability to name with the
IUPAC name, InCHI, and InChIKey in addition to previous methods.

2023.1.14 -- Changed documentation to new style and theme.
Switched the documentation to the MolSSI theme and diátaxis layout, though more work
is needed.

Switching from LGTM code analysis to GitHub Actions using CodeQL, since LGTM is
shutting down!

Added a single property, 'total energyQuickMin<forcefield>', to store the final
energy in the database. Also added 'total energy' as a result for tables or
variables.

Got the documentation into reasonable shape.

Provides quick minimization for smaller molecules, using OpenBabel. Probably
reasonable for some few hundred atoms. Supports the following forcefields:

1. GAFF
2. MMFF94 & MMFF94s (which is optimized for minimization)
3. Ghemical
4. UFF

The default is the "best available" forcefield, which tries them in the order given
above until it finds one that can handle the molecule.