Mopac-step

* Updated the MOPAC installer to work with recent changes in the SEAMM installer.
* Saving timing information to ~/SEAMM/timing/mopac.csv for tools to predict the
length of calculations.
* Corrected a small issue with the RMSD calculations.

2025.2.24 -- Changed the structure option to "Discard the structure".

* Added the RMSD between the initial and final structures during optimization, make
the RMSD, maximumim displacement, and the index of the maximally displaced atom
results that can be tabulated and stored.
* Added an option to discard the structure from an optimization.

2024.12.9 -- Add the force constants as a property.
* Add the force constants as a property of the configuration when running
thermodynamics, IR, or force constants calculations.

2024.10.15 -- Bugfix: error if used in a loop and previous directories deleted.
* The code crashed if called with a loop in the flowchart, and the last directory of
a previous loop iteration was deleted before running the next iteration.

2024.8.21 -- Bugfix for PM7-TS and optimization, GUI clean up for CI calculations.
* Calculations using PM7-TS do not write information to the AUX file, so added code to
get the energy from the output file.
* For optimizations, the option for the frequency of calculating the force constants
and the maximum radius of convergence were missing from the GUI for the EF
method. The frequency also was not being correctly handled in the input to MOPAC.
* The GUI for using CI calculations was cleaned up.

* Added ability to do the various types of CI calculations that MOPAC supports.
* Improved the handling of TS calculations and added NLLSQ and SIGMA methods in
the optimization step.
* Added option to correctly handle transition states in the thermodynamics step and
improved the output to include the imaginary and low-lying frequencies.

* Fixed a bug in the bond analysis that caused the code to crash for calculations on
atoms.
* Fixed a bug in the mopac.ini file created if it did not exists that caused the code
to crash when the calculation was run.

* To support the Energy Scan step.

* Updated the installation to reflect the new way to install SEAMM plug-ins to support
both Conda and Docker

2024.1.16 -- Added support for containers.
* Added access to the new PM6-ORG parameterization and made it the default, though PM7
is still preferred for materials simulation. PM6-ORG handle organic and biomolecules
well.
* Made the Lewis structure analysis more robust and added information to the output.
* Provided an option for the Lewis structure calculation to set the charge of the
system to that calculaed by the Lewis structure.
* Added support for containers
* Made default to run serially, since parallel doesn't provide much benefit.
* Fixed bug in analysis if optimization doesn't converge.