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gpaw
gpaw
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  • gpaw
  • gpawgpaw
  • Merge Requests

  • Open 31
  • Merged 657
  • Closed 88
  • All 776
  • Priority Created date Last updated Milestone due date Popularity Label priority
  • Draft: Add new gpaw-venv.sh script for the gbar
    !776 · opened Jan 19, 2021 by Jens Jørgen Mortensen
    • 0
    updated Jan 19, 2021
  • Improve pblas support, add interface to pzsymm
    !770 · opened Jan 12, 2021 by Tuomas Rossi
    • 9
    updated Jan 14, 2021
  • Draft: Beginning of PAW correction for ZFS
    !768 · opened Jan 11, 2021 by Jens Jørgen Mortensen
    • 0
    updated Jan 16, 2021
  • Extract Ti2O4 calculation to fixture
    !741 · opened Nov 20, 2020 by Jens Jørgen Mortensen
    • 0
    updated Nov 20, 2020
  • Draft: Simple Delta-SCF occupation-number calculator
    !726 · opened Oct 22, 2020 by Jens Jørgen Mortensen
    • 0
    updated Nov 05, 2020
  • Draft: Reuse wave functions after cell change
    !721 · opened Oct 09, 2020 by Jens Jørgen Mortensen
    • 2
    • 2
    updated Oct 29, 2020
  • Restart cDFT coupling with multiple regions
    !715 · opened Oct 01, 2020 by Marko Melander
    • 1
    updated Jan 12, 2021
  • Draft: Play with pytest in parallel
    !695 · opened Aug 14, 2020 by Jens Jørgen Mortensen
    • 0
    updated Aug 24, 2020
  • Draft: ENH: Qinitial   0 of 3 tasks completed
    !682 · opened Jul 02, 2020 by Michael Walter
    • 12
    updated Oct 07, 2020
  • WIP: Use ase.parallel._set_global_world()
    !670 · opened May 18, 2020 by Jens Jørgen Mortensen
    • 0
    updated May 18, 2020
  • WIP: Use pylibxc
    !635 · opened Feb 19, 2020 by Jens Jørgen Mortensen
    • 1
    updated Mar 17, 2020
  • Print msg when symmetry.py finds supercell
    !596 · opened Nov 18, 2019 by Morten Gjerding
    • 4
    updated Jan 21, 2020
  • WIP: New defect module
    !592 · opened Nov 13, 2019 by Kristen Kaasbjerg
    • 0
    updated Nov 16, 2019
  • WIP: update CUDA branch   5 of 8 tasks completed
    !580 · opened Sep 26, 2019 by Martti Louhivuori   cuda
    • 0
    updated Dec 08, 2020
  • WIP: Raman spectrum
    !563 · opened Aug 05, 2019 by Jens Jørgen Mortensen
    • 0
    updated Aug 05, 2019
  • WIP: TB mode
    !516 · opened Mar 01, 2019 by Jens Jørgen Mortensen
    • 0
    updated Jan 03, 2021
  • WIP: Force correction
    !478 · opened Dec 18, 2018 by Jens Jørgen Mortensen
    • 0
    updated Dec 20, 2018
  • Direct minimisation. LCAO mode. Perdew-Zunger Self-Interaction Correction
    !470 · opened Dec 11, 2018 by Aleksei
    • 30
    updated Jan 14, 2020
  • WIP: Introduce vector potential to GPAW   1 of 10 tasks completed
    !456 · opened Nov 19, 2018 by Mikael Kuisma
    • 1
    updated Oct 09, 2020
  • WIP: Direct Minimisation. FD mode.
    !449 · opened Nov 08, 2018 by Aleksei
    • 0
    updated Apr 22, 2019
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