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gpaw
gpaw
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1,982
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Draft: Reuse wave functions after cell change
!721
· created
Oct 09, 2020
by
Jens Jørgen Mortensen
Closed
2
2
updated
Oct 03, 2023
Draft: cupy-compatible DielectricFunctionCalculator
!1293
· created
Oct 06, 2022
by
Ask Hjorth Larsen
Closed
4
1
updated
Oct 03, 2023
Draft: RI-JK-Hybrids for GPAW
!943
· created
Oct 04, 2021
by
Mikael Kuisma
Closed
1
1
updated
May 30, 2023
Add pgs to gpaw
!431
· created
Oct 11, 2018
by
Sami Kaappa
Closed
5
1
updated
Apr 21, 2020
Fast holonomic constraints for explicit solvent QMMM GPAW calculations.
3 of 3 checklist items completed
!313
· created
Jan 13, 2018
by
Mikael Kuisma
Closed
31
1
updated
Jun 14, 2019
2nd order sigma stencil
!197
· created
Apr 07, 2017
by
Ask Hjorth Larsen
Closed
27
1
updated
Dec 13, 2018
Implements check that grid is compatible with fractional translations.
!2229
· created
Mar 26, 2024
by
JakobKSvaneborg
Closed
updated
Mar 27, 2024
Moved the PAW pair density calculations to a new class, where the FFBT...
!2202
· created
Mar 12, 2024
by
Mikkel Ohm Sauer
Response
Sprint
in progress
Closed
4
updated
Mar 20, 2024
Draft: PAW ALDA goldstone scaling
!2174
· created
Feb 23, 2024
by
Thorbjørn Skovhus
Response
Closed
1
updated
Mar 05, 2024
Draft: Break g0w0 anisotropy test
!2116
· created
Dec 04, 2023
by
John Mangeri
Response
Closed
1
updated
Dec 04, 2023
Add missing spin dimension in gw eigenvalue handling
!2020
· created
Oct 13, 2023
by
Stefan Mattsson
Closed
updated
Oct 13, 2023
Testing LUMI CI
!1958
· created
Sep 22, 2023
by
Jens Jørgen Mortensen
Closed
updated
Sep 29, 2023
Use new ase.mep.neb.NEBTools
!1955
· created
Sep 22, 2023
by
Jens Jørgen Mortensen
Closed
updated
Sep 22, 2023
Skip np.nan when determining frequency for eigenmode extraction
!1929
· created
Sep 11, 2023
by
Thorbjørn Skovhus
Response
Closed
12
updated
Sep 22, 2023
Draft: CI: Run GPU tests in parallel
!1916
· created
Sep 07, 2023
by
Tuomas Rossi
GPU
Closed
2
updated
Sep 15, 2023
Draft: Use scipy.sparse.block_diag for dH_II
!1913
· created
Sep 05, 2023
by
Jens Jørgen Mortensen
GPU
New GPAW
Closed
1
updated
Sep 12, 2023
Disable failing gpwfile fixtures
!1912
· created
Sep 05, 2023
by
Ask Hjorth Larsen
Closed
2
updated
Sep 07, 2023
Tiny update to basismaker refactoring that tests did not catch
!1889
· created
Aug 30, 2023
by
Anubhab Haldar
basismaker-refactor
Closed
2
updated
Aug 30, 2023
run on "run:staging" image
!1873
· created
Aug 25, 2023
by
Ask Hjorth Larsen
Closed
4
updated
Oct 04, 2023
update test after rename of variable
!1869
· created
Aug 24, 2023
by
Ask Hjorth Larsen
Closed
1
updated
Oct 03, 2023
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