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QEF - Quantum ESPRESSO Foundation
q-e
Merge requests
Open
18
Merged
2,186
Closed
138
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Created date
Draft: s_psi - like subroutines optimization
!2361
· created
May 15, 2024
by
Janusz Andrzejewski
1
0 of 1 Approvals
updated
May 15, 2024
Draft: Implementation of orbital-resolved DFT+U
!2348
· created
May 03, 2024
by
MackeEric
0 of 1 Approvals
updated
May 06, 2024
Draft: Reorder charge density components
!2331
· created
Apr 18, 2024
by
giannozz
0 of 1 Approvals
updated
Apr 18, 2024
Draft: Offload children of dynmat0
!2317
· created
Apr 02, 2024
by
Laura Bellentani
0 of 1 Approvals
updated
Apr 02, 2024
Add elpa_openmp support in cmake
!2314
· created
Mar 29, 2024
by
YI Zeping
3
0 of 1 Approvals
updated
Apr 02, 2024
WIP: A mechanism and and input variable to choose automatically the size of the k-points mesh.
!2289
· created
Feb 27, 2024
by
Lorenzo Paulatto
5
1
0 of 1 Approvals
updated
Feb 28, 2024
Implementation of linear response with two chemical potentials
!2270
· created
Feb 06, 2024
by
Giovanni Marini
0 of 1 Approvals
updated
Apr 03, 2024
Draft: Adding support for external projectors to projwfc.x
0 of 6 checklist items completed
!2233
· created
Jan 16, 2024
by
Edward Linscott
5
0 of 1 Approvals
updated
Jan 16, 2024
Draft: Laplacian metaGGA
!2229
· created
Jan 15, 2024
by
Pietro
0 of 1 Approvals
updated
Jan 15, 2024
Draft: libxc in test-suite
!2125
· created
Jul 13, 2023
by
Fabrizio Ferrari
0 of 1 Approvals
updated
Jul 13, 2023
Draft: Updates to Allen-Heine-Cardona calculation
!2033
· created
Feb 06, 2023
by
Jae-Mo Lihm
6
0 of 1 Approvals
updated
Mar 12, 2024
Draft: CUDA Version of LAXLIB and parallel davidson
!1952
· created
Aug 16, 2022
by
Pietro Delugas
gpu
2
updated
Mar 16, 2023
Draft: Starting removal of "custom" diagonalization
!1752
· created
Feb 09, 2022
by
giannozz
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
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
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
Dec 14, 2023