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@psi4

psi4

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  1. psi4 Public

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

    C++ 1k 459

  2. psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 357 163

  3. psi1 Public

    The original Psi 1.0 release from the 1980s.

  4. psicode-hugo-website Public

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

    HTML 1 13

Repositories

Showing 10 of 25 repositories
  • psi4docs Public

    built Sphinx html documentation for Psi4

    HTML 1 0 0 5 Updated Feb 27, 2025
  • psi4 Public

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

    C++ 1,031 LGPL-3.0 459 366 66 Updated Feb 27, 2025
  • psicode-hugo-website Public

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

    HTML 1 13 0 0 Updated Jan 10, 2025
  • psi4meta Public

    tools for managing Psi4

    Shell 7 GPL-2.0 6 0 0 Updated Feb 9, 2024
  • PsiCon2020 Public

    materials from PsiCon 2020

    Jupyter Notebook 1 7 0 0 Updated Jan 17, 2024
  • psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 357 BSD-3-Clause 163 10 7 Updated Jan 8, 2024
  • sphinx-psi-theme Public

    Sphinx theme (extension to cloud) for Psi4 documentation

    Python 0 LGPL-3.0 0 0 1 Updated Sep 27, 2023
  • gdma Public

    Anthony Stone's Gaussian Distributed Multipole Analysis wrapped in CMake

    Fortran 5 GPL-2.0 2 2 0 Updated May 24, 2023
  • dkh Public

    Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction

    Fortran 1 LGPL-3.0 0 0 0 Updated May 18, 2023
  • docker-expt Public
    Dockerfile 0 0 0 0 Updated May 13, 2023
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