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Patch locpot #182

Merged
merged 5 commits into from
Apr 22, 2024
Merged

Patch locpot #182

merged 5 commits into from
Apr 22, 2024

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jmmshn
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@jmmshn jmmshn commented Apr 3, 2024

Minor Fixes

  1. Allow non-integer oxidation state for Defect.get_charge_states()
  2. Allow any type VolumetricData to be used for the locpot feilds. Sometimes Locpots are serialized as Chgcars by atomate2 but they are functionally the same.
  3. Make sure that the ASE supercell generator respects min_length

@jmmshn jmmshn merged commit ead9d47 into main Apr 22, 2024
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