Lammps-step

* There was an issue saving the pressure and volume as properties due to a mismatch
in the names used. This has been corrected.
* Improved how the code determines the number of processors to use for parallel runs,
giving salience to the number of atoms in the system, but limiting to the LAMMPS and
global limits on numbers of cores as well as the hardware available.

* Bugfix: Fixed issue with the initial seamm.ini file, created if it is missing from
the installation.
* Added the ability to set the number of points in the trajectories rather than the
sampling rate.
* Added diagnositic information and timings to available results.

* Switched to new functionality in the SEAMM widgets to simplify the layout of the
trajectories panel.

* Improved control over the trajectories of positions, velocities, etc. to allow the
user to give the number of points in the trajectory rather than the time interval
of samples
* Added volume of the cell to properties, and the cell lengths, density, and volume
for NVE and NVT, where those parameters don't vary but are nonetheless useful in
subsequent analysis.

2024.6.28.1 -- Internal release to fix issue making Docker image.

* Added ability to get the energy and forces from single point calculations to supprt
e.g. energy scans.
* Fixed issue with assigning atoms types if they have not been assigned but are None
* Updated for change in the order of units in the new version of pint
* Improved analsys based on the output file.

* Corrected an issue running LAMMPS via Python, introduced in the new scheme for
executing. It ignored parallelism.