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nomad-coe / nomad

NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.
https://nomad-lab.eu
Apache License 2.0
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units of section_atomic_multipoles.atomic_multipole_values #14

Open ondracka opened 3 years ago

ondracka commented 3 years ago

I'm trying to save mulliken charges into this section in the lobster parser. This should be the correct place for it (atomic_multipole_kind has allowed value 'mulliken'), but I can't set proper charge units for atomic_multipole_values as it is unitless currently.