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40 followers · 24 following

Achievements

Achievement: Pair Extraordinairex3Achievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: QuickdrawAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex3Achievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: QuickdrawAchievement: Arctic Code Vault Contributor

Organizations

@conda-forge @aiidateam @aiidalab @JuliaMolSim @pspgen @cnts4sci

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  1. PseudopotentialGenerator.jl PseudopotentialGenerator.jl Public

    Solve atomic Schrödinger equation and pseudizing to generate pseudo-potential for plane-wave DFT.

    Julia

  2. JuliaMolSim/Libxc.jl JuliaMolSim/Libxc.jl Public

    Julia bindings to the libxc library for exchange-correlation functionals

    Julia 22 6

  3. aiida-core-i18n aiida-core-i18n Public

    AiiDA documentation localization

    Python 2 3

  4. aiidalab/aiidalab-qe aiidalab/aiidalab-qe Public

    AiiDAlab App for Quantum ESPRESSO

    Python 13 15

  5. pniggli pniggli Public

    Niggli cell transformations in pure python, support both 2D and 3D Niggli cell.

    Python 5

  6. tatzelwurm tatzelwurm Public

    Lightweight remote task broker with smart queue system and persistent message storage.

    Rust 2