Quickmin-step

2025.2.23 -- Add RMSD and other properties to the output and available results.
* Calculate the RMSD between the initial and final structures, and made it available
in the results and also reported to the output.
* Added control over where to place the optimized structure.

2024.5.7 -- Bugfix: Corrected sign on gradients.
* OpenBabel calls "forces" "gradients", so needed to take the negative to get the
actual gradients.

* 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.