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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++ 993 454

  2. psi4numpy psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 351 159

  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 13

Repositories

Showing 10 of 25 repositories
  • psi4 Public

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

    psi4/psi4’s past year of commit activity
    C++ 993 LGPL-3.0 454 362 68 Updated Dec 13, 2024
  • 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 13 0 0 Updated Dec 13, 2024
  • psi4docs Public

    built Sphinx html documentation for Psi4

    psi4/psi4docs’s past year of commit activity
    HTML 1 0 0 5 Updated Dec 13, 2024
  • psi4meta Public

    tools for managing Psi4

    psi4/psi4meta’s past year of commit activity
    Shell 7 GPL-2.0 6 0 0 Updated Feb 9, 2024
  • PsiCon2020 Public

    materials from PsiCon 2020

    psi4/PsiCon2020’s past year of commit activity
    Jupyter Notebook 1 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 351 BSD-3-Clause 159 10 7 Updated Jan 8, 2024
  • 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 Sep 27, 2023
  • 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 2 2 0 Updated May 24, 2023
  • dkh Public

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

    psi4/dkh’s past year of commit activity
    Fortran 1 LGPL-3.0 0 0 0 Updated May 18, 2023
  • docker-expt Public
    psi4/docker-expt’s past year of commit activity
    Dockerfile 0 0 0 0 Updated May 13, 2023
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