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gpaw
gpaw
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Created date
Add directions for install on NERSC's Perlmutter.
!2211
· created
Mar 19, 2024
by
Erik
1
updated
Mar 19, 2024
Abstract plane-wave kernels
!2210
· created
Mar 18, 2024
by
Thorbjørn Skovhus
Response
0
updated
Mar 18, 2024
Let each core only read the part of P_ani it needs
!2209
· created
Mar 18, 2024
by
Jens Jørgen Mortensen
New GPAW
2
updated
Mar 18, 2024
Put functionality to compute pair density correction splines on ResponsePAWDataset, such that they can be cached
!2207
· created
Mar 15, 2024
by
Thorbjørn Skovhus
Response
Sprint
in progress
22
updated
Mar 18, 2024
Draft: Try improving pseudopotential accuracy
!2205
· created
Mar 14, 2024
by
Mikael Kuisma
0
updated
Mar 14, 2024
Try to clean up mapping from basis functions to partial waves
!2203
· created
Mar 13, 2024
by
Jens Jørgen Mortensen
0
updated
Mar 18, 2024
Draft: Make tests pass on 4 cores
!2179
· created
Mar 01, 2024
by
Jens Jørgen Mortensen
New GPAW
Tests
0
updated
Mar 19, 2024
FD-gradient fix for bad cells
!2169
· created
Feb 15, 2024
by
Jens Jørgen Mortensen
2
updated
Feb 22, 2024
Draft: Update how sigma is passes to G0W0Calculator
!2168
· created
Feb 13, 2024
by
Mikael Kuisma
0
updated
Feb 13, 2024
More setups cleanup
!2167
· created
Feb 13, 2024
by
Ask Hjorth Larsen
0
updated
Feb 13, 2024
remove old debugging code
!2165
· created
Feb 13, 2024
by
Ask Hjorth Larsen
0
updated
Feb 13, 2024
Draft: Gw brr 3
!2152
· created
Feb 05, 2024
by
Mikael Kuisma
0
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
Global timer for new GPAW
!2144
· created
Jan 04, 2024
by
Ask Hjorth Larsen
Approved
6
updated
Feb 21, 2024
ENH: a couple of changes regarding mggas and libxc
!2141
· created
Dec 22, 2023
by
Rolf Würdemann
10
updated
Mar 18, 2024
Incremental work towards #705
!2133
· created
Dec 07, 2023
by
Terence Tsang
0
updated
Jan 30, 2024
overrides #2049, closes #1037
!2130
· created
Dec 06, 2023
by
John Mangeri
New GPAW
0
updated
Dec 06, 2023
pure python implementation of radial hartree
!2106
· created
Nov 28, 2023
by
Aleksei
0
updated
Nov 28, 2023
Add float dtype to full diagonalization
!2101
· created
Nov 21, 2023
by
Aleksei
5
updated
Dec 05, 2023
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