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Quantum ESPRESSO

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  1. q-e q-e Public

    Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

    Fortran 588 294

  2. q-e_old q-e_old Public

    Official mirror of Quantum ESPRESSO

    Fortran 48 39

  3. q-e_schrodinger q-e_schrodinger Public

    Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite

    Fortran 19 8

  4. postqe postqe Public

    Python 17 10

  5. qeschema qeschema Public

    Python 14 8

  6. SternheimerGW SternheimerGW Public

    many-body perturbation theory without empty states

    Fortran 12 5

Repositories

Showing 10 of 24 repositories
  • qeschemas Public
    5 8 3 2 Updated Apr 12, 2025
  • q-e Public

    Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

    Fortran 588 GPL-2.0 294 0 0 Updated Feb 18, 2025
  • xsdtools Public

    A code generator for XSD schemas

    Fortran 3 4 0 0 Updated Sep 27, 2024
  • benchmarks Public

    Benchmark calculations with Quantum Espresso

    Shell 12 MIT 11 0 0 Updated Sep 25, 2024
  • q-e_schrodinger Public

    Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite

    Fortran 19 GPL-2.0 8 1 1 Updated Jul 1, 2024
  • qeschema Public
    Python 14 8 3 1 Updated May 29, 2024
  • CB_miniapp Public

    miniapp for computing band structures usin Cohen-Bergestress pseudopotentials and Quantum ESPRESSO libraries

    C 0 0 0 0 Updated Jan 5, 2024
  • postqe Public
    Python 17 LGPL-2.1 10 1 0 Updated Aug 10, 2023
  • qe_test_openacc Public
    Fortran 2 GPL-2.0 0 2 0 Updated Mar 15, 2023
  • optpara4QE Public
    Jupyter Notebook 0 1 0 0 Updated Oct 18, 2022
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