Fhi-aims-step

Latest version: v2024.10.31

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2024.10.31

* Added a first tutorial to the documentation.

2024.10.30

* Added the standard properties for energy and gradient drivers so that aims can be
used with the ThermoChemistry, Structure, and Reaction plug-ins.
* Changed defaults to make normal runs easier to set up.

2024.7.30

* Fixed issue with the initialization of the fhi-aims.ini file if it did not exist.
* Cleaned up the section for seamm.ini now that it no longer handles the
executable.

2024.1.19

* Added ability to write out the input file and not run FHI-aims
* Check if the calculation has been run, and don't rerun FHI-aims
* Switched to new method of executing background jobs that supports containers.

2023.9.8

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

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