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gpaw
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Popularity
Draft: Crpa
4 of 10 checklist items completed
!2032
· created
Oct 23, 2023
by
Fredrik Nilsson
updated
Oct 30, 2023
Gpu multi einsum
!2028
· created
Oct 22, 2023
by
Mikael Kuisma
3
updated
Mar 27, 2024
Draft: Work on GPU GPAW_NEW davidson elpa
!2025
· created
Oct 19, 2023
by
Ask Hjorth Larsen
elpa-davidson
1
updated
Oct 21, 2023
Elpa Davidson (step 1)
!2023
· created
Oct 18, 2023
by
Ask Hjorth Larsen
3
updated
Oct 19, 2023
Draft: Test for wrong cell size when using to_uniform_grid()
!1982
· created
Sep 27, 2023
by
Jens Jørgen Mortensen
New GPAW
updated
Sep 27, 2023
Draft: Speed up grid symmetry operations
!1944
· created
Sep 17, 2023
by
Mikael Kuisma
updated
Sep 29, 2023
Draft: Gpu xc corrections
!1940
· created
Sep 15, 2023
by
Mikael Kuisma
updated
Sep 15, 2023
Draft: Add excess e
!1932
· created
Sep 11, 2023
by
Alexander Lackey
updated
Sep 11, 2023
Draft: Interface libexexex
!1867
· created
Aug 23, 2023
by
Mikael Kuisma
updated
Aug 26, 2023
Fixing ordering of k-points for localization in x-direction and parallel k-points in z
!1850
· created
Aug 11, 2023
by
Thomas Olsen
updated
Aug 11, 2023
Draft: Handle positive fxc for RAPBE like described in paper
!1803
· created
Jul 04, 2023
by
Jens Jørgen Mortensen
Response
8
updated
Mar 20, 2024
Restore class relationship of new calculator class with calculator ABC of ASE
!1802
· created
Jul 04, 2023
by
Terence Tsang
5
updated
Jan 30, 2024
Draft: Devel mpa more
!1763
· created
Jun 12, 2023
by
Mikael Kuisma
55
updated
Nov 06, 2023
Draft: Ehrenfest dynamics with LCAO
!1750
· created
Jun 01, 2023
by
Vladimir Zobac
5
updated
Jun 13, 2023
Draft: adding mpa bool
!1749
· created
Jun 01, 2023
by
Dario A. Leon
updated
Jun 08, 2023
Draft: Update deprecated ´GPAW.set´ to new ´GPAW.new´
!1745
· created
May 30, 2023
by
Joachim Soedequist
updated
May 30, 2023
Sjm set removal
!1738
· created
May 30, 2023
by
Jakub Fojt
12
updated
Dec 07, 2023
Draft: Add deprecation warning for set
!1733
· created
May 30, 2023
by
Jakub Fojt
updated
May 30, 2023
Draft: Let the fullspin mixer be the new default - perhaps?
!1664
· created
Apr 20, 2023
by
Jens Jørgen Mortensen
1
updated
Apr 25, 2023
added embedding approach radiation-reaction potential, added test and restart
!1638
· created
Mar 22, 2023
by
Christian Schaefer
9
updated
Mar 28, 2024
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