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Follow-up from "Resolve "Additional AMML properties needed for oxycat use case""

The following discussion from !110 (merged) should be addressed:

See discussion: (+5 comments)

Here the original message:

Is the energy_minimum property only available for normal modes task? I thought I could get the total energy of the last geometry from the optimization. So, in a local minimum task, the energy property is actually that of the final, optimized geometry? Anyways, if I request energy_minimum as Property of a local minimum task, the following error message is printed:

[...]
File "/pfs/data5/home/kit/scc/an9294/vre-language/src/virtmat/language/utilities/amml.py", line 354, in get_results
    props_dict[prop].append(len(vib_ene_imag) == 0)

By rodrigo.mejia on 2023-08-23T16:56:40 (imported from GitLab)

We should check whether we get the same crash/message. Then we should re-visit the docs explaining the properties and relationship with calculator task.

Edited by Ivan Kondov