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@QEF Quantum ESPRESSO

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    24 repositories

    • 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.
      quantum-espresso
      Fortran
      •
      GNU General Public License v2.0
      •280•568•0•0•Updated Oct 21, 2024Oct 21, 2024

    • xsdtools

      Public
      A code generator for XSD schemas
      fortranxsdcode-generationcodegen
      Fortran
      •
      Other
      •4•3•0•0•Updated Sep 27, 2024Sep 27, 2024

    • benchmarks

      Public
      Benchmark calculations with Quantum Espresso
      Shell
      •
      MIT License
      •12•12•0•0•Updated Sep 25, 2024Sep 25, 2024

    • qeschemas

      Public
      8•4•3•1•Updated Jul 24, 2024Jul 24, 2024

    • q-e_schrodinger

      Public
      Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
      Fortran
      •
      GNU General Public License v2.0
      •8•19•1•1•Updated Jul 1, 2024Jul 1, 2024

    • qeschema

      Public
      Python
      •
      Other
      •8•12•3•1•Updated May 29, 2024May 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, 2024Jan 5, 2024

    • postqe

      Public
      Python
      •
      GNU Lesser General Public License v2.1
      •10•16•1•0•Updated Aug 10, 2023Aug 10, 2023

    • qe_test_openacc

      Public
      Fortran
      •
      GNU General Public License v2.0
      •0•2•2•0•Updated Mar 15, 2023Mar 15, 2023

    • optpara4QE

      Public
      Jupyter Notebook
      •1•0•0•0•Updated Oct 18, 2022Oct 18, 2022

    • qe_test-omp5

      Public
      repository for testing openmp offloading
      Fortran
      •
      GNU General Public License v2.0
      •1•0•0•0•Updated Jun 29, 2022Jun 29, 2022

    • quantum-mobile

      Public
      A Virtual Machine for computational materials science
      HTML
      •
      Other
      •32•1•0•0•Updated Mar 28, 2021Mar 28, 2021

    • want

      Public
      Fortran
      •
      GNU General Public License v2.0
      •2•4•0•0•Updated Aug 11, 2020Aug 11, 2020

    • libbeef

      Public
      Library for Bayesian error estimation functionals for use in density functional theory codes
      C
      •
      GNU Lesser General Public License v3.0
      •8•0•0•0•Updated Jul 3, 2020Jul 3, 2020

    • QEMeeting-2020

      Public
      slides and other material used during the QE developers meeting of 16 January 2020 in Trieste
      0•2•0•0•Updated Jan 18, 2020Jan 18, 2020

    • qexsd

      Public archive
      Quantum Espresso tools for XML Schema based Documents
      Python
      •
      Other
      •2•8•0•0•Updated Dec 2, 2019Dec 2, 2019

    • Examples

      Public
      MIT License
      •0•0•0•0•Updated Jun 8, 2019Jun 8, 2019

    • qe-dev-meeting-2019

      Public
      Material used during the Quantum Espresso Developer's meeting of 7th and 8th January 2019 in Trieste
      0•1•0•0•Updated Jan 19, 2019Jan 19, 2019

    • SternheimerGW

      Public
      many-body perturbation theory without empty states
      physicsfirst-principlescomputational-physicssolid-state-physicsmany-body-perturbation-theorylinear-response
      Fortran
      •
      GNU General Public License v3.0
      •5•11•6•0•Updated Jul 6, 2018Jul 6, 2018

    • iotk

      Public
      Perl
      •0•0•0•0•Updated May 14, 2018May 14, 2018

    • qe-dev-meeting-2018

      Public
      0•2•0•0•Updated Feb 7, 2018Feb 7, 2018

    • q-e_old

      Public
      Official mirror of Quantum ESPRESSO
      Fortran
      •
      GNU General Public License v2.0
      •39•49•0•0•Updated Jan 27, 2018Jan 27, 2018

    • thermo_pw

      Public
      Ab-initio computation of material properties. This a mirror of the main site github.com/dalcorso/thermo_pw
      Fortran
      •
      GNU General Public License v2.0
      •1•1•0•0•Updated Oct 25, 2017Oct 25, 2017

    • qe-dev-meeting-2017

      Public
      Slides of Quantum ESPRESSO Developers meeting 2017
      0•2•0•0•Updated Feb 12, 2017Feb 12, 2017