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Achievements

Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

Achievements

Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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@GT-IDEaS

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  1. psi4 psi4 Public

    Forked from psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++

  2. psi4/psi4 psi4/psi4 Public

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++ 959 442

  3. psi4numpy psi4numpy Public

    Forked from psi4/psi4numpy

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook

  4. psi4/psi4numpy psi4/psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 334 156

  5. cdsgroup/dftoptbench-si cdsgroup/dftoptbench-si Public

    Additional materials for "Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes"

    Jupyter Notebook 1

  6. GT-IDEaS/SkillsWorkshop2017 GT-IDEaS/SkillsWorkshop2017 Public

    Jupyter Notebook 24