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gpaw
gpaw
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Created date
Replace old sophia-venv.sh with newer version compiled on February 2023
!1641
· created
Mar 24, 2023
by
Jiban Kangsabanik
0
updated
Mar 24, 2023
added embedding approach radiation-reaction potential, added test and restart
!1638
· created
Mar 22, 2023
by
Christian Schaefer
5
updated
Mar 24, 2023
Draft: Chunk ifft's on GPU
!1636
· created
Mar 22, 2023
by
Jens Jørgen Mortensen
Big refactor
GPU
0
updated
Mar 22, 2023
Draft: Update gpaw_venv script to foss/2022b
!1634
· created
Mar 21, 2023
by
Jakob Schiøtz
1
updated
Mar 21, 2023
Draft: Test ibz2bzMaps to prepare to move out of response
!1632
· created
Mar 20, 2023
by
Fredrik Nilsson
Prepare the ChiKSCalculator for generalized block distribution
Response
0
updated
Mar 23, 2023
Draft: Streamline the chiks test using caching
!1630
· created
Mar 20, 2023
by
Thorbjørn Skovhus
Prepare the ChiKSCalculator for generalized block distribution
LPAW
Response
0
updated
Mar 20, 2023
Draft: GPU PBE
!1627
· created
Mar 19, 2023
by
Jens Jørgen Mortensen
GPU
0
updated
Mar 21, 2023
Make a unit test for parallel kptpair extraction
!1624
· created
Mar 16, 2023
by
Thorbjørn Skovhus
Prepare the ChiKSCalculator for generalized block distribution
LPAW
Response
0
updated
Mar 20, 2023
Draft: replace sum with sum scalar
!1615
· created
Mar 14, 2023
by
Mikael Kuisma
0
updated
Mar 14, 2023
Draft: Remove GPAW_MPI2 flag (i.e. we always will use it)
!1613
· created
Mar 14, 2023
by
Mikael Kuisma
3
updated
Mar 15, 2023
speed up test_na_plasmon.py
!1611
· created
Mar 14, 2023
by
Tara Maria Boland
Maintenance
1
updated
Mar 14, 2023
Draft: Dev update generator
!1605
· created
Mar 10, 2023
by
Aleksei
smoother-datasets
1
updated
Mar 10, 2023
Fixed bse test for silicon. The test compared weights of degenerate...
!1603
· created
Mar 10, 2023
by
Thomas Olsen
0
updated
Mar 10, 2023
Small bug fixes in the defect code
!1602
· created
Mar 09, 2023
by
Thomas Olsen
0
updated
Mar 10, 2023
Draft: Wannier90 input from gs calculation with symmetry
7 of 7 checklist items completed
!1600
· created
Mar 09, 2023
by
Fredrik Nilsson
5
updated
Mar 10, 2023
Draft: DOMOM method
!1585
· created
Mar 02, 2023
by
Fredrik Nilsson
0
updated
Mar 02, 2023
Draft: Integrate HIP/CUDA branch
!1583
· created
Mar 01, 2023
by
Martti Louhivuori
0
updated
Mar 24, 2023
Draft: Move expensive pw_expand() call out of loop
!1538
· created
Feb 19, 2023
by
Jens Jørgen Mortensen
0
updated
Feb 23, 2023
Draft: Real-space interpolation in response ground state adapter
!1535
· created
Feb 16, 2023
by
Thorbjørn Skovhus
Response
1
updated
Feb 17, 2023
Draft: Make it possible to add nct in real space for PW-mode also
!1534
· created
Feb 16, 2023
by
Jens Jørgen Mortensen
0
updated
Feb 16, 2023
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