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Created date
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
Merged
7
updated
Apr 17, 2024
Version 24.1.0
!2143
· created
Jan 03, 2024
by
Jens Jørgen Mortensen
Merged
updated
Jan 04, 2024
Improvements and changes to dipole moments with LCAO
!2142
· created
Dec 29, 2023
by
Anubhab Haldar
Merged
1
1
Approved
updated
Jan 11, 2024
ENH: a couple of changes regarding mggas and libxc
!2141
· created
Dec 22, 2023
by
Rolf Würdemann
33
updated
Jun 25, 2024
Fix tricky resource warning
!2140
· created
Dec 19, 2023
by
Ask Hjorth Larsen
Merged
2
Approved
updated
Dec 19, 2023
Make it possible to apply a mask of valid eigenmode extraction frequencies
!2139
· created
Dec 19, 2023
by
Thorbjørn Skovhus
Response
Merged
1
updated
Jan 08, 2024
Use fixed random numbers. Closes #1086
!2138
· created
Dec 19, 2023
by
Mikael Kuisma
Merged
1
updated
Dec 19, 2023
Add table of which-mode-does-what
!2137
· created
Dec 18, 2023
by
Jens Jørgen Mortensen
Merged
updated
Dec 18, 2023
Add check of imaginary c(G=0) for gamma-point calculations
!2136
· created
Dec 08, 2023
by
Jens Jørgen Mortensen
Merged
updated
Dec 11, 2023
Extract soc energy during scf calculation
!2135
· created
Dec 08, 2023
by
Martin Ovesen
Noncollinear
Merged
3
updated
Dec 11, 2023
Change "vector" (lookup-based) access to access via integer index
!2134
· created
Dec 07, 2023
by
Ask Hjorth Larsen
Response
Sprint
in progress
Merged
3
Approved
updated
Dec 08, 2023
Incremental work towards #705
!2133
· created
Dec 07, 2023
by
Terence Tsang
updated
Jan 30, 2024
Tolerance in shg test
!2132
· created
Dec 06, 2023
by
Martin Ovesen
Merged
1
updated
Dec 07, 2023
changed to warning when trying to do GW for metals
!2131
· created
Dec 06, 2023
by
Fredrik Nilsson
Response
Sprint
in progress
Merged
2
updated
Feb 08, 2024
overrides #2049, closes #1037
!2130
· created
Dec 06, 2023
by
John Mangeri
New GPAW
updated
Dec 06, 2023
Speed up slow tests
!2129
· created
Dec 05, 2023
by
Ask Hjorth Larsen
Maintenance
Sprint
in progress
Merged
3
Approved
updated
Feb 08, 2024
guard against attribute errors in __del__
!2128
· created
Dec 05, 2023
by
Ask Hjorth Larsen
Merged
2
updated
Dec 06, 2023
Kinetic energy test for noncollinear systems
!2127
· created
Dec 05, 2023
by
Martin Ovesen
Merged
10
updated
Dec 08, 2023
Response typehints
!2126
· created
Dec 05, 2023
by
JakobKSvaneborg
Merged
6
Approved
updated
Dec 05, 2023
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