Torchani-step

* There was a problem in the commandline for running TorchANI in a Docker container.

* Creating images for Docker automatically on release
* Added the energy and gradients for output to JSON for e.g. Energy Scan

* The code handled configurations incorrectly.This has been fixed.
* The gradients were not output correctly, causing problems in e.g the Structure
and Thermochemistry steps.
* Changed logging at the INFO level to DEBUG to clean up the output of geomeTRIC.

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.

* Handles energy and optimization.
* ANI-1x, ANI-1ccx, and ANI-2x models

* Plug-in created using the SEAMM plug-in cookiecutter.