Why does OUTCAR only parse the final magnetic moments?

materialsproject / pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

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Why does OUTCAR only parse the final magnetic moments? #3847

Open matthewkuner opened 3 months ago

matthewkuner commented 3 months ago

https://github.com/materialsproject/pymatgen/blob/d0ad785f9b4e9a57717ef2c56eef19ceb8e90c25/pymatgen/io/vasp/outputs.py#L1771

OUTCARs (typically) print out the magnetic moments for each atom at the end of each ionic step. Wouldn't that information be useful to store for every ionic step?

mkhorton commented 3 months ago

No objection from me. Does anyone know if the VASP developers have included this information in the vasprun.xml now as well?