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6 followers · 9 following
  • IAS-1@FZ Jülich
  • Aachen

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Achievement: Pair Extraordinairex3Achievement: YOLOAchievement: Pull Sharkx3
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Pinned

  1. aiida-dataframe aiida-dataframe Public

    AiiDA data plugin for pandas DataFrame objects

    Python 5 1

  2. JuDFTteam/masci-tools JuDFTteam/masci-tools Public

    Post-processing toolkit for electronic structure calculations

    Python 17 10

  3. JuDFTteam/aiida-fleur JuDFTteam/aiida-fleur Public

    AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

    Python 13 7

  4. JuDFTteam/pymatgen-io-fleur JuDFTteam/pymatgen-io-fleur Public

    Pymatgen (https://pymatgen.org/) IO plugin for the LAPW code FLEUR (www.flapw.de)

    Python 3

  5. JuDFTteam/ase-fleur JuDFTteam/ase-fleur Public

    Package adding IO/calculator functionalities for the FLEUR code to the ase package.

    Python 1