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@compchem-cybertraining

Computational Chemistry CyberTraining

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  1. Tutorials_CP2K Tutorials_CP2K Public

    Tutorials on CP2K calculations

    Python 62 30

  2. Tutorials_Libra Tutorials_Libra Public

    Tutorials showcasing various capabilities of Libra

    Jupyter Notebook 24 22

  3. Cyber_Training_Workshop_2022 Cyber_Training_Workshop_2022 Public

    CyberTraining workshop 2022

    Roff 7 27

  4. Tutorials_DFTB_plus Tutorials_DFTB_plus Public

    Tutorials with density functional tight-binding (DFTB+) package

    Python 6 5

  5. Tutorials_QE_and_eQE Tutorials_QE_and_eQE Public

    Tutorials on Quantum Espresso (QE) and embedded QE (eQE)

    Jupyter Notebook 4 1

  6. Tutorials_Editing_Visualization Tutorials_Editing_Visualization Public

    Tutorials on creating atomistic models using VESTA software

    2 1

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