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gpaw
gpaw
Merge requests
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102
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2,011
Closed
202
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Updated date
Draft: Refactor basis generation
!853
· created
May 25, 2021
by
Ask Hjorth Larsen
Closed
1
updated
Oct 03, 2023
WIP: Second-order imaginary part to the dielectric function
!256
· created
Sep 04, 2017
by
Henrik Weyer
Response
Closed
5
updated
Oct 03, 2023
WIP: Force correction
!478
· created
Dec 18, 2018
by
Jens Jørgen Mortensen
Closed
updated
Oct 03, 2023
Draft: Here an example how to compile with hip on NVIDIA
!1756
· created
Jun 07, 2023
by
Mikael Kuisma
Closed
updated
Oct 03, 2023
Draft: draft for how we could have icalculate() yield event objects
!1835
· created
Aug 03, 2023
by
Ask Hjorth Larsen
Closed
2
updated
Oct 03, 2023
Draft: Update gpaw_venv script to foss/2022b
!1634
· created
Mar 21, 2023
by
Jakob Schiøtz
Closed
2
updated
Oct 03, 2023
Draft: Need to do something about these two slow AGTS tests
!1080
· created
May 03, 2022
by
Jens Jørgen Mortensen
Closed
updated
Oct 03, 2023
Single unit error in comment fixed
!931
· created
Sep 14, 2021
by
Frederik Durhuus
Closed
updated
Oct 03, 2023
Draft: Reuse wave functions after cell change
!721
· created
Oct 09, 2020
by
Jens Jørgen Mortensen
Closed
2
2
updated
Oct 03, 2023
Draft: Play with pytest in parallel
!695
· created
Aug 14, 2020
by
Jens Jørgen Mortensen
Closed
updated
Oct 03, 2023
WIP: Use ase.parallel._set_global_world()
!670
· created
May 18, 2020
by
Jens Jørgen Mortensen
Closed
updated
Oct 03, 2023
WIP: TB mode
!516
· created
Mar 01, 2019
by
Jens Jørgen Mortensen
Closed
updated
Oct 03, 2023
WIP: Direct Minimisation. FD mode.
!449
· created
Nov 08, 2018
by
Aleksei
Closed
1
updated
Oct 03, 2023
Direct minimisation. LCAO mode. Perdew-Zunger Self-Interaction Correction
!470
· created
Dec 11, 2018
by
Aleksei
Closed
35
updated
Oct 03, 2023
WIP: Introduce vector potential to GPAW
1 of 10 checklist items completed
!456
· created
Nov 19, 2018
by
Mikael Kuisma
Closed
1
updated
Oct 03, 2023
WIP: Grid arrays
!311
· created
Jan 08, 2018
by
Ask Hjorth Larsen
Closed
1
updated
Oct 03, 2023
Introduce GPW_FILE_VERSION integer
!301
· created
Dec 13, 2017
by
Jens Jørgen Mortensen
Closed
4
updated
Oct 03, 2023
changed q-weights when skip_gamma=True. Made restart from finished calc possible.
!172
· created
Feb 07, 2017
by
Per Schmidt
Closed
4
updated
Oct 03, 2023
WIP: LCAO pDOS
!141
· created
Dec 07, 2016
by
Korina Kuhar
Closed
1
updated
Oct 03, 2023
Testing LUMI CI
!1958
· created
Sep 22, 2023
by
Jens Jørgen Mortensen
Closed
updated
Sep 29, 2023
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