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QEF - Quantum ESPRESSO Foundation
q-e
Merge requests
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18
Merged
1,928
Closed
122
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2,068
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Created date
Interpolation of atomic rho
!2092
· created
May 30, 2023
by
giannozz
1 left
1
updated
May 30, 2023
Draft: GPU porting of mix_rho and avoid potential infinite loop in local_TF charge mixer
!2090
· created
May 24, 2023
by
Pietro Delugas
0
updated
May 24, 2023
GPU version of vexxace
!2088
· created
May 21, 2023
by
Victor Yu
2
updated
May 31, 2023
[Bug Fix, PW] Cholesky Error in Hybrid DFT Calculation When Using ACE
!2063
· created
Apr 03, 2023
by
Ju-an Zhang
1 left
5
updated
May 04, 2023
Draft: Updates to Allen-Heine-Cardona calculation
!2033
· created
Feb 06, 2023
by
Jae-Mo Lihm
1 left
3
updated
Mar 15, 2023
Draft: Tentative implementation of PW's atomic wavefunction initialization inside CP
!2029
· created
Jan 26, 2023
by
Riccardo Bertossa
1 left
0
Draft: CUDA Version of LAXLIB and parallel davidson
!1952
· created
Aug 16, 2022
by
Pietro Delugas
gpu
2
updated
Mar 16, 2023
Draft: Irreducible BZ calculation in pw2wannier90.f90
!1885
· created
Jun 18, 2022
by
Takashi Koretsune
1 left
2
updated
May 16, 2023
Draft: adding missing deallocation of bectype
!1782
· created
Mar 08, 2022
by
Pietro Delugas
0
updated
Mar 10, 2022
Draft: Reorder charge density components
!1773
· created
Feb 26, 2022
by
giannozz
3
updated
Nov 06, 2022
Draft: Starting removal of "custom" diagonalization
!1752
· created
Feb 09, 2022
by
giannozz
0
updated
Mar 22, 2023
Draft: MGGA contribution to the Hamiltonian performed on the GPU
!1523
· created
Jul 30, 2021
by
Pietro
gpu
2
updated
Aug 17, 2021
Draft: Single precision cuFFT for vloc_psi_gpu
!1466
· created
Jun 30, 2021
by
Victor Yu
gpu
1 left
5
updated
Oct 10, 2022
WIP: source-free exchange-correlation magnetic fields
!1392
· created
Apr 21, 2021
by
Pietro
1
updated
Dec 02, 2021
Correct detection of symmetries in magnetic systems
!1273
· created
Jan 14, 2021
by
Minkyu Park
51
updated
Nov 29, 2021
WIP: making magnetic constraint lambda type specific
!715
· created
Dec 13, 2019
by
Pietro Delugas
1
updated
Apr 20, 2020
Fixes to the preconditioner g_psi for the Davidson
!714
· created
Dec 12, 2019
by
John Vinson
1 left
2
updated
Jan 12, 2021
Reduce the expansion of user provided k-point list from lattice symmetry to crystal symmetry
!292
· created
Jan 30, 2019
by
Yunzhe Wang
8
updated
Jul 17, 2020