CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
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Fix `solve_charge_by_mag()` using wrong key in `structure.site_properties.get('final_magmom')` #114

Closed janosh closed 5 months ago

janosh commented 5 months ago

Closes #113.