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Achievement: Pull Sharkx2Achievement: YOLOAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx2Achievement: YOLOAchievement: Arctic Code Vault Contributor

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  1. Tutorials Tutorials Public

    A repository containing tutorials for electronic structure analysis

    5

  2. Orca-Scripts Orca-Scripts Public

    Useful scripts for running Orca

    Python 1

  3. analysis-scripts analysis-scripts Public

    A selection of analysis scripts for ORCA and Q-Chem

    Python

  4. qchem qchem Public

    Useful scripts for analyzing Q-Chem jobs

    Python

  5. resources resources Public

    Forked from duartegroup/resources

    References, presentations and other resources

    Python

  6. strain-delocalisation strain-delocalisation Public

    Raw data and scripts for "Delocalisation-enabled organic reactivity"

    Python 1