* 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.