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nomad-coe / nomad-simulations

A NOMAD plugin containing base sections for simulations.
https://nomad-coe.github.io/nomad-simulations/
Apache License 2.0
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Handling `magnetic_state` #12

Open JosePizarro3 opened 6 months ago

JosePizarro3 commented 6 months ago

As pointed out, we need to extend the schema to handle different magnetic states.

An initial idea: this should be defined in ModelSystem.magnetic_state. This quantity could be defined from checking AtomicCell and AtomicCell.AtomsState.magnetic_moments.

What about macroscopic ordered states in microstructures? I think Hongbin can help here once we have the idea our individual grains (but I am guessing nesting ModelSystem already helps us support these cases 😄 )

JosePizarro3 commented 6 months ago

I will be moving the discussion to the Discussion menu. Please, check #22.