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@psi4

psi4

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  1. psi4 psi4 Public

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

    C++ 1.1k 483

  2. psi4numpy psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 386 168

  3. psi1 psi1 Public

    The original Psi 1.0 release from the 1980s.

  4. psicode-hugo-website psicode-hugo-website Public

    Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)

    HTML 1 14

Repositories

Showing 10 of 26 repositories
  • psi4docs Public

    built Sphinx html documentation for Psi4

    psi4/psi4docs’s past year of commit activity
    HTML 1 0 0 5 Updated Jan 8, 2026
  • psi4 Public

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

    psi4/psi4’s past year of commit activity
    C++ 1,124 LGPL-3.0 483 365 71 Updated Jan 8, 2026
  • psicode-hugo-website Public

    Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)

    psi4/psicode-hugo-website’s past year of commit activity
    HTML 1 14 0 1 Updated Dec 5, 2025
  • psi3 Public

    Psi3 source code.

    psi4/psi3’s past year of commit activity
    C++ 2 GPL-2.0 3 0 0 Updated Nov 10, 2025
  • psi4meta Public

    tools for managing Psi4

    psi4/psi4meta’s past year of commit activity
    Shell 7 GPL-2.0 6 0 0 Updated Oct 24, 2025
  • gau2grid Public

    Fast computation of a gaussian and its derivative on a grid.

    psi4/gau2grid’s past year of commit activity
    Python 31 BSD-3-Clause 21 4 0 Updated Sep 26, 2025
  • sphinx-psi-theme Public

    Sphinx theme (extension to cloud) for Psi4 documentation

    psi4/sphinx-psi-theme’s past year of commit activity
    Python 0 LGPL-3.0 0 0 1 Updated Jun 20, 2025
  • gdma Public

    Anthony Stone's Gaussian Distributed Multipole Analysis wrapped in CMake

    psi4/gdma’s past year of commit activity
    Fortran 5 GPL-2.0 1 2 0 Updated Apr 11, 2025
  • PsiCon2020 Public

    materials from PsiCon 2020

    psi4/PsiCon2020’s past year of commit activity
    Jupyter Notebook 3 7 0 0 Updated Jan 17, 2024
  • psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    psi4/psi4numpy’s past year of commit activity
    Jupyter Notebook 386 BSD-3-Clause 168 11 7 Updated Jan 8, 2024
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