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GitLab 15.0 has launched! Please visit Breaking changes in 15.0 and 15.0 Removals to see which breaking changes may impact your workflow.

  • QEF - Quantum ESPRESSO Foundation
  • q-eq-e
  • Merge requests
  • Open 23
  • Merged 1,701
  • Closed 102
  • All 1,826
  • atomic trouble - safe escape
    !1850 · created May 26, 2022 by Fabrizio Ferrari
    • 1
    updated May 26, 2022
  • Clean up MD restart test data before running
    !1849 · created May 26, 2022 by afonari
    • 1
    updated May 26, 2022
  • fixed phase modulus issue that causes some cases to be off by eR/V .
    !1848 · created May 25, 2022 by Ronald Cohen
    • Approved
    • 0
    updated May 26, 2022
  • Draft: Merging RISM branch by @minoru-otani into develop
    !1847 · created May 25, 2022 by Pietro Delugas
    • 0
    updated May 25, 2022
  • Draft: OpenMP5 offloading (WIP: please do not push anything on devel_omp5 branch until some fixes are done)
    !1833 · created May 11, 2022 by Ivan Carnimeo   omp_offloading
    • 1
    updated May 18, 2022
  • Davidson ported with OpenACC, CPU and GPU versions merged into one
    !1826 · created May 06, 2022 by Ivan Carnimeo   gpu
    • 3
    updated May 17, 2022
  • Draft: AMD OpenMP5 Port of FFTXLib
    !1819 · created Apr 29, 2022 by Ossian O'Reilly   qe_openmp5_devel
    • 1
    updated May 03, 2022
  • Passing Hubbard-related quantities to the XML schema
    !1808 · created Apr 15, 2022 by Iurii Timrov
    • 2
    updated May 26, 2022
  • Draft: adding missing deallocation of bectype
    !1782 · created Mar 08, 2022 by Pietro Delugas
    • 0
    updated Mar 10, 2022
  • Draft: Reorder charge density components
    !1773 · created Feb 26, 2022 by giannozz
    • 0
    updated Feb 27, 2022
  • Draft: Starting removal of "custom" diagonalization
    !1752 · created Feb 09, 2022 by giannozz
    • 0
    updated Feb 10, 2022
  • Draft: QEHeat + openACC
    !1659 · created Dec 01, 2021 by Riccardo Bertossa
    • 0
    updated Dec 16, 2021
  • Draft: MGGA contribution to the Hamiltonian performed on the GPU
    !1523 · created Jul 30, 2021 by Pietro   gpu
    • 2
    updated Aug 17, 2021
  • Draft: Single precision cuFFT for vloc_psi_gpu
    !1466 · created Jun 30, 2021 by Victor Yu   gpu
    • 5
    updated May 20, 2022
  • WIP: source-free exchange-correlation magnetic fields
    !1392 · created Apr 21, 2021 by Pietro
    • 1
    updated Dec 02, 2021
  • Correct detection of symmetries in magnetic systems
    !1273 · created Jan 14, 2021 by Minkyu Park
    • 51
    updated Nov 29, 2021
  • WIP: Openmp ph
    !1241 · created Dec 14, 2020 by Oscar
    • 15
    updated Dec 17, 2020
  • WIP: improve phonon performance for very large inputs
    !732 · created Jan 12, 2020 by Pietro
    • 0
    updated Jan 19, 2020
  • WIP: making magnetic constraint lambda type specific
    !715 · created Dec 13, 2019 by Pietro Delugas
    • 1
    updated Apr 20, 2020
  • Fixes to the preconditioner g_psi for the Davidson
    !714 · created Dec 12, 2019 by John Vinson
    • 2
    updated Jan 12, 2021
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