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QEF - Quantum ESPRESSO Foundation
q-e
Merge requests
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21
Merged
2,156
Closed
136
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Milestone due date
Yet Another DFT+U check
!2279
· created
Feb 16, 2024
by
giannozz
Merged
Approved
updated
Feb 16, 2024
update version number
!2278
· created
Feb 14, 2024
by
Fabrizio Ferrari
Merged
Approved
updated
Feb 15, 2024
No longer using_et*
!2277
· created
Feb 12, 2024
by
giannozz
Merged
Approved
updated
Feb 29, 2024
Added PP/d3hess to CMake
!2275
· created
Feb 09, 2024
by
Tommaso Gorni
Merged
Approved
updated
Feb 12, 2024
OpenACC + OpenMP + Spin-Orbit again
!2274
· created
Feb 09, 2024
by
giannozz
Merged
Approved
updated
Feb 09, 2024
improve cmake for openmp offload
!2273
· created
Feb 08, 2024
by
Laura Bellentani
develop_omp5
Merged
7
Approved
updated
Feb 21, 2024
fix typo forgotten typo
!2272
· created
Feb 08, 2024
by
Pietro Delugas
develop_omp5
Merged
Approved
updated
Feb 08, 2024
Enforce libxc static library files
!2271
· created
Feb 07, 2024
by
Ye Luo
Merged
Approved
updated
Feb 07, 2024
Fix number formatting in Fortran output Files in vcsmd.f90
!2269
· created
Feb 06, 2024
by
singularitti
master
Merged
Approved
updated
Feb 06, 2024
More atomic wavefunction cleaning
!2267
· created
Feb 05, 2024
by
giannozz
Merged
Approved
updated
Feb 06, 2024
Add autoconf options for enabling OMP GPU offload on craype with ROCM libs
!2265
· created
Feb 05, 2024
by
Pietro Delugas
develop_omp5
Merged
5
Approved
updated
Feb 08, 2024
Two out-of-bound errors fixed
!2264
· created
Feb 03, 2024
by
giannozz
Merged
Approved
updated
Feb 03, 2024
[CMake] Re-added qe_lax for -DBUILD_SHARED_LIBS=ON builds.
!2263
· created
Feb 02, 2024
by
Ye Luo
develop_omp5
Merged
Approved
updated
Feb 02, 2024
Resolve CI stuck in tzdata.
!2262
· created
Feb 02, 2024
by
Ye Luo
Merged
Approved
updated
Feb 02, 2024
[CMake] Make qe_modules public dependency of qe_pw target.
!2261
· created
Feb 02, 2024
by
Ye Luo
develop_omp5
Merged
Approved
updated
Feb 02, 2024
Wrong ESM forces with Gamma tricks fixed
!2260
· created
Feb 02, 2024
by
giannozz
Merged
Approved
updated
Feb 02, 2024
Workaround for obscure spin-orbit failures
!2259
· created
Feb 02, 2024
by
giannozz
Merged
1
Approved
updated
Feb 02, 2024
alpha2f.x did not work since MPI parallelization of tetrahedron
!2258
· created
Jan 31, 2024
by
Mitsuaki KAWAMURA
Merged
Approved
updated
Jan 31, 2024
CP - fix to mgga with gpu
!2257
· created
Jan 31, 2024
by
Fabrizio Ferrari
Merged
3
Approved
updated
Jan 31, 2024
Merge of CPU and GPU calculation of atomic wavefunctions
!2256
· created
Jan 31, 2024
by
giannozz
Merged
Approved
updated
Jan 31, 2024
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