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  • gpawgpaw
  • gpawgpaw
  • Merge requests
  • Open 110
  • Merged 1,400
  • Closed 131
  • All 1,641
  • Replace old sophia-venv.sh with newer version compiled on February 2023
    !1641 · created Mar 24, 2023 by Jiban Kangsabanik
    • 0
    updated Mar 24, 2023
  • added embedding approach radiation-reaction potential, added test and restart
    !1638 · created Mar 22, 2023 by Christian Schaefer
    • 5
    updated Mar 24, 2023
  • Draft: Chunk ifft's on GPU
    !1636 · created Mar 22, 2023 by Jens Jørgen Mortensen   Big refactor GPU
    • 0
    updated Mar 22, 2023
  • Draft: Update gpaw_venv script to foss/2022b
    !1634 · created Mar 21, 2023 by Jakob Schiøtz
    • 1
    updated Mar 21, 2023
  • Draft: Test ibz2bzMaps to prepare to move out of response
    !1632 · created Mar 20, 2023 by Fredrik Nilsson   Prepare the ChiKSCalculator for generalized block distribution   Response
    • 0
    updated Mar 23, 2023
  • Draft: Streamline the chiks test using caching
    !1630 · created Mar 20, 2023 by Thorbjørn Skovhus   Prepare the ChiKSCalculator for generalized block distribution   LPAW Response
    • 0
    updated Mar 20, 2023
  • Draft: GPU PBE
    !1627 · created Mar 19, 2023 by Jens Jørgen Mortensen   GPU
    • 0
    updated Mar 21, 2023
  • Make a unit test for parallel kptpair extraction
    !1624 · created Mar 16, 2023 by Thorbjørn Skovhus   Prepare the ChiKSCalculator for generalized block distribution   LPAW Response
    • 0
    updated Mar 20, 2023
  • Draft: replace sum with sum scalar
    !1615 · created Mar 14, 2023 by Mikael Kuisma
    • 0
    updated Mar 14, 2023
  • Draft: Remove GPAW_MPI2 flag (i.e. we always will use it)
    !1613 · created Mar 14, 2023 by Mikael Kuisma
    • 3
    updated Mar 15, 2023
  • speed up test_na_plasmon.py
    !1611 · created Mar 14, 2023 by Tara Maria Boland   Maintenance
    • 1
    updated Mar 14, 2023
  • Draft: Dev update generator
    !1605 · created Mar 10, 2023 by Aleksei   smoother-datasets
    • 1
    updated Mar 10, 2023
  • Fixed bse test for silicon. The test compared weights of degenerate...
    !1603 · created Mar 10, 2023 by Thomas Olsen
    • 0
    updated Mar 10, 2023
  • Small bug fixes in the defect code
    !1602 · created Mar 09, 2023 by Thomas Olsen
    • 0
    updated Mar 10, 2023
  • Draft: Wannier90 input from gs calculation with symmetry   7 of 7 checklist items completed
    !1600 · created Mar 09, 2023 by Fredrik Nilsson
    • 5
    updated Mar 10, 2023
  • Draft: DOMOM method
    !1585 · created Mar 02, 2023 by Fredrik Nilsson
    • 0
    updated Mar 02, 2023
  • Draft: Integrate HIP/CUDA branch
    !1583 · created Mar 01, 2023 by Martti Louhivuori
    • 0
    updated Mar 24, 2023
  • Draft: Move expensive pw_expand() call out of loop
    !1538 · created Feb 19, 2023 by Jens Jørgen Mortensen
    • 0
    updated Feb 23, 2023
  • Draft: Real-space interpolation in response ground state adapter
    !1535 · created Feb 16, 2023 by Thorbjørn Skovhus   Response
    • 1
    updated Feb 17, 2023
  • Draft: Make it possible to add nct in real space for PW-mode also
    !1534 · created Feb 16, 2023 by Jens Jørgen Mortensen
    • 0
    updated Feb 16, 2023
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