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QEF - Quantum ESPRESSO Foundation
q-e
Merge requests
Open
20
Merged
2,164
Closed
137
All
2,321
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Created date
fixed a compatibility problem with qe 7.0
!1825
· created
May 06, 2022
by
Fangzhou Zhao
Merged
updated
May 06, 2022
Restart tweaking
!1824
· created
May 05, 2022
by
giannozz
Merged
updated
May 06, 2022
Revert saving/reading velocities in verlet for restart
!1823
· created
May 04, 2022
by
afonari
Merged
updated
May 04, 2022
More xml cleanup, cray workarounds, fix for a small error previosly introduced
!1822
· created
May 01, 2022
by
giannozz
Merged
updated
May 01, 2022
Misc documentation and cosmetic changes
!1821
· created
Apr 30, 2022
by
giannozz
Merged
updated
May 01, 2022
rho gradient and fft gpu duplication removed
!1820
· created
Apr 29, 2022
by
Fabrizio Ferrari
Merged
updated
May 02, 2022
AMD OpenMP5 Port of FFTXLib
!1819
· created
Apr 29, 2022
by
Ossian O'Reilly
qe_openmp5_devel
Merged
1
updated
Jun 08, 2022
Small changes
!1818
· created
Apr 27, 2022
by
giannozz
Merged
updated
Apr 28, 2022
Fixes a possible crash where PHonon tries to read u from file because it...
!1817
· created
Apr 25, 2022
by
joshuadelliott
Merged
1
updated
Apr 28, 2022
Add velocities to MD verlet restart
!1816
· created
Apr 25, 2022
by
afonari
Merged
updated
May 04, 2022
Fix vexx_gamma_gpu when not using band groups (bug in !1812)
!1815
· created
Apr 24, 2022
by
Victor Yu
Merged
1
updated
Apr 25, 2022
Fix KCW breakage in CUDA builds.
!1814
· created
Apr 23, 2022
by
Ye Luo
Merged
updated
Apr 23, 2022
[CMake] Add w90 customized target and also restore wannier90.x exectuable name.
!1813
· created
Apr 22, 2022
by
Ye Luo
Merged
updated
Apr 24, 2022
vexx_gamma_gpu band group
!1812
· created
Apr 22, 2022
by
Victor Yu
Merged
1
updated
Apr 25, 2022
XC derivatives on ACC
!1811
· created
Apr 22, 2022
by
Fabrizio Ferrari
Merged
updated
Apr 25, 2022
CP restart with U wasn't working
!1810
· created
Apr 22, 2022
by
giannozz
Merged
updated
Apr 22, 2022
EXX FFT decomposition
!1809
· created
Apr 21, 2022
by
Victor Yu
Merged
updated
Apr 21, 2022
Passing Hubbard-related quantities to the XML schema
!1808
· created
Apr 15, 2022
by
Iurii Timrov
Merged
2
updated
May 27, 2022
New DFT+Hubbard syntax update
!1807
· created
Apr 13, 2022
by
Iurii Timrov
Merged
updated
Apr 21, 2022
Some cleanup of xml code
!1806
· created
Apr 12, 2022
by
giannozz
Merged
1
updated
Apr 13, 2022
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