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gpaw
Merge requests
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104
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Updated date
Draft: Add noninteracting polarizability for LCAO
gpaw!848
· created
May 06, 2021
by
Tuomas Rossi
1
updated
May 06, 2021
Draft: LCAO dipole/nabla matrix elements
gpaw!857
· created
Jun 02, 2021
by
Ask Hjorth Larsen
2
updated
Jun 14, 2021
Draft: Support g basis functions
gpaw!826
· created
Mar 31, 2021
by
Ask Hjorth Larsen
updated
Jul 13, 2021
Draft_Ehrenfest_MD_lcao
gpaw!878
· created
Jul 01, 2021
by
Vladimir Zobac
2
updated
Aug 04, 2021
Draft: Test PBE implementations
gpaw!923
· created
Aug 20, 2021
by
Jens Jørgen Mortensen
LibXC
Sprint
ready
updated
Sep 13, 2021
Print msg when symmetry.py finds supercell
gpaw!596
· created
Nov 18, 2019
by
Morten Gjerding
4
updated
Sep 14, 2021
ENH: Qinitial
3 of 3 checklist items completed
gpaw!682
· created
Jul 02, 2020
by
Michael Walter
13
updated
Nov 15, 2021
Draft: Add option to discard static external potential in time-propagation TDDFT
gpaw!964
· created
Nov 15, 2021
by
Tuomas Rossi
1
updated
Nov 15, 2021
Draft: Resolution of identity hybrids to LCAO PAW mode (RI-LVL)
gpaw!962
· created
Nov 11, 2021
by
Mikael Kuisma
updated
Nov 22, 2021
BSE code ofr magnetic systems wit spin-orbit coupling
gpaw!973
· created
Dec 03, 2021
by
Thomas Olsen
19
updated
Dec 03, 2021
Draft: Resolution of Identity Implementation with Projector Augmented Wave Method
gpaw!969
· created
Nov 22, 2021
by
Mikael Kuisma
1
updated
Dec 14, 2021
BUG: Fix custom UPF compensation charge
gpaw!959
· created
Nov 03, 2021
by
Juha
6
updated
Dec 21, 2021
Poisson solver with gaussian charges
gpaw!938
· created
Sep 24, 2021
by
Mejdeddine Mokhtar
4
1
updated
Jan 13, 2022
Draft: Ri hybrids
gpaw!1000
· created
Jan 18, 2022
by
Mikael Kuisma
updated
Jan 26, 2022
Draft: Unequal occupation numbers for different k-points with FixedOccupationNumbers class
gpaw!1010
· created
Jan 27, 2022
by
Gianluca Levi
8
updated
Feb 02, 2022
Draft: added electron-phonon fingerprint
gpaw!1044
· created
Apr 01, 2022
by
Nikolaj Knøsgaard
3
updated
Apr 05, 2022
Draft: Encapsulate build system and provide declarative build configuration format
gpaw!1029
· created
Feb 21, 2022
by
Gaël Donval
2
updated
Apr 06, 2022
Draft: More optimal sigma calculation for GW
gpaw!1098
· created
May 10, 2022
by
Mikael Kuisma
5
updated
May 18, 2022
Draft: Electron-Phonon self energy
2 of 5 checklist items completed
gpaw!956
· created
Nov 01, 2021
by
Robert Warmbier
updated
May 30, 2022
Draft: Broadcast exceptions in test-suite
gpaw!1067
· created
Apr 29, 2022
by
Jens Jørgen Mortensen
3
updated
Jun 16, 2022
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