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gpaw
gpaw
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Created date
Draft: Update how sigma is passes to G0W0Calculator
!2168
· created
Feb 13, 2024
by
Mikael Kuisma
updated
Feb 13, 2024
More setups cleanup
!2167
· created
Feb 13, 2024
by
Ask Hjorth Larsen
updated
Feb 13, 2024
Draft: Gw brr 3
!2152
· created
Feb 05, 2024
by
Mikael Kuisma
updated
Feb 12, 2024
Small bug in unfold with SOC. This is due to a change in variables in the soc...
!2150
· created
Jan 31, 2024
by
Thomas Olsen
1
updated
Feb 22, 2024
Add direct optimisation to new GPAW. Part 1.
!2145
· created
Jan 17, 2024
by
Aleksei
3
updated
Jan 18, 2024
ENH: a couple of changes regarding mggas and libxc
!2141
· created
Dec 22, 2023
by
Rolf Würdemann
15
updated
May 11, 2024
Incremental work towards #705
!2133
· created
Dec 07, 2023
by
Terence Tsang
updated
Jan 30, 2024
overrides #2049, closes #1037
!2130
· created
Dec 06, 2023
by
John Mangeri
New GPAW
updated
Dec 06, 2023
pure python implementation of radial hartree
!2106
· created
Nov 28, 2023
by
Aleksei
updated
Nov 28, 2023
Add float dtype to full diagonalization
!2101
· created
Nov 21, 2023
by
Aleksei
5
updated
Dec 05, 2023
Add mpa sigma
5 of 5 checklist items completed
!2098
· created
Nov 17, 2023
by
Mikael Kuisma
updated
Dec 21, 2023
Draft: rehabilitate xfailing test
!2092
· created
Nov 14, 2023
by
Ask Hjorth Larsen
updated
Nov 14, 2023
Bse rpa
!2076
· created
Nov 10, 2023
by
Mikael Kuisma
29
updated
May 06, 2024
Draft: Gpu add perfetto profiling
!2069
· created
Nov 08, 2023
by
Mikael Kuisma
updated
Nov 08, 2023
Update LUMI installation instructions
!2065
· created
Nov 07, 2023
by
Tuomas Rossi
4
updated
Feb 20, 2024
Draft: Implementation of approximated non-collinear PBE
!2053
· created
Nov 06, 2023
by
Joachim Soedequist
3
updated
Mar 11, 2024
test for borncharges
!2049
· created
Nov 03, 2023
by
John Mangeri
Tests
11
updated
Dec 06, 2023
Draft: Amalie bse legacy
!2043
· created
Nov 02, 2023
by
Amalie Søndersted
updated
Nov 02, 2023
Draft: Non self-consistenty scissors
!2038
· created
Oct 30, 2023
by
Jens Jørgen Mortensen
LCAO
updated
Oct 30, 2023
Draft: This MR has all of the pending MR's (gpu-fd-mode, gpu-multi-einsum, gpu-xccorrections2, gpu-residuals, gpu-pbe2, fix-symmetry-in-gpaw-new, gpu-new-more-parallel)
!2035
· created
Oct 25, 2023
by
Mikael Kuisma
GPU
New GPAW
updated
Mar 06, 2024
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