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Add proper smearing for VASP#454

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Merged

sudarsan-surendralal merged 5 commits intomasterpyiron/pyiron_atomistics:masterfrom smearingpyiron/pyiron_atomistics:smearingCopy head branch name to clipboardDec 2, 2021

+38-6

Commits

Commits on Dec 1, 2021

• Update function to be compatible with SPHInX

  sudarsan-surendralal

  committed
  7b61bfd

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• ISMEAR still overwrites everything

  sudarsan-surendralal

  committed
  dfd11ae

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• Add testing

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  committed
  09ff8ef

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Commits on Dec 2, 2021

• Update pyiron_atomistics/vasp/base.py

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  sudarsan-surendralal

  and

  pmrv

  authored
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• Raise error when incompatible

  sudarsan-surendralal

  committed
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