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QEF - Quantum ESPRESSO Foundation
q-e
Merge requests
Open
19
Merged
2,163
Closed
137
All
2,319
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Updated date
Fix for compilation problem
!45
· created
Apr 12, 2018
by
giannozz
master
Merged
updated
Apr 12, 2018
Oops ... scalar case wasn't compiling any longer
!44
· created
Apr 12, 2018
by
giannozz
Merged
updated
Apr 12, 2018
check_para_diag is a function but was called as a subroutine in three cases.
!42
· created
Apr 10, 2018
by
giannozz
Merged
updated
Apr 11, 2018
Autopilot CG
!41
· created
Apr 10, 2018
by
Riccardo Bertossa
Merged
updated
Apr 10, 2018
qexsd_init_total_energy was internally converting energies to Ha from Ry.
!40
· created
Apr 09, 2018
by
giannozz
Merged
updated
Apr 09, 2018
More explicative error message when one namelist is missing
!39
· created
Apr 06, 2018
by
Lorenzo Paulatto
Merged
updated
Apr 06, 2018
ISNAN in EPW + Doc update
!38
· created
Apr 05, 2018
by
giannozz
Merged
updated
Apr 05, 2018
Example for using wannier90 with open_grid.x, bypassing the nscf calculation
!36
· created
Apr 04, 2018
by
Lorenzo Paulatto
Merged
3
updated
Apr 04, 2018
Second attempt to write a micro-git guide, following a different procedure
!37
· created
Apr 04, 2018
by
giannozz
Merged
updated
Apr 04, 2018
Bugfix: declaration of npw variable in pw2wannier90.f90 to make gfortran compiler…
!35
· created
Mar 28, 2018
by
Valerio Vitale
Closed
1
0 of 1 Approvals
updated
Apr 04, 2018
post_v6.2.1 of QE with SCDM-k in pw2wannier90
!34
· created
Mar 27, 2018
by
Valerio Vitale
Merged
updated
Mar 27, 2018
pw2wannier90.90 now prints spinors on a real grid. Alignment between Wannier90 version and QEF/q-e
!33
· created
Mar 26, 2018
by
Valerio Vitale
Merged
1
updated
Mar 26, 2018
Possibility to opt at compile time for a XML reading made only by IO node and then broadcast the result
!30
· created
Mar 14, 2018
by
Pietro Delugas
Merged
1
updated
Mar 21, 2018
Updated and improved FFT testing program
!29
· created
Mar 14, 2018
by
Pietro
tests
Merged
updated
Mar 14, 2018
Check upf io
!27
· created
Mar 12, 2018
by
Pietro Delugas
Merged
updated
Mar 12, 2018
add a timer for hinit0
!26
· created
Mar 12, 2018
by
Anton Kozhevnikov
Merged
updated
Mar 12, 2018
read_file_new reads input variables from data-file-schema.xml
!25
· created
Mar 09, 2018
by
Pietro Delugas
Merged
2
updated
Mar 10, 2018
More EXX restructuring: routines specific for band parallelization moved to
!23
· created
Mar 07, 2018
by
giannozz
Merged
updated
Mar 07, 2018
exx.f90 reordering
!22
· created
Mar 05, 2018
by
giannozz
Merged
updated
Mar 06, 2018
Periodic merge of Develop to master
!21
· created
Mar 05, 2018
by
Pietro Delugas
master
Merged
updated
Mar 05, 2018
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