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QEF - Quantum ESPRESSO Foundation
q-e
Merge requests
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20
Merged
2,164
Closed
137
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Created date
fixing vc-relax with exact exchange
!173
· created
Sep 13, 2018
by
Pietro Delugas
Merged
1
updated
Sep 19, 2018
Some simple hybrids & XDM parameters
!174
· created
Sep 14, 2018
by
Alberto Otero de la Roza
Merged
updated
Sep 19, 2018
Fix reading of input sym flags in read_file_new
!176
· created
Sep 17, 2018
by
Pietro Delugas
Merged
updated
Sep 25, 2018
update configure script management of hdf5 library
!177
· created
Sep 18, 2018
by
Pietro Delugas
Merged
updated
Sep 18, 2018
fix incorrect behavior introduced with m.r. !176
!178
· created
Sep 20, 2018
by
Pietro Delugas
Merged
updated
Sep 20, 2018
Fix for tests: revert default exx_fraction to its previous value in pbe0 and other functionals
!179
· created
Sep 21, 2018
by
Alberto Otero de la Roza
Merged
updated
Sep 21, 2018
PHonon with nosym
!180
· created
Sep 22, 2018
by
giannozz
Merged
updated
Sep 22, 2018
Fix bgrp>1 without ACE
!181
· created
Sep 22, 2018
by
Ye Luo
Merged
updated
Sep 23, 2018
PP files in data directory are read and not ignored
!182
· created
Sep 23, 2018
by
giannozz
Merged
updated
Sep 23, 2018
DFT+U and CP: the ns variables containing atomic occupancies were written
!183
· created
Sep 24, 2018
by
giannozz
Merged
updated
Sep 24, 2018
open_grid and fft_fact/fractional translation small fixes
!184
· created
Sep 25, 2018
by
Alberto Otero de la Roza
Merged
updated
Sep 25, 2018
Minor fixes to build mechanism
!185
· created
Oct 02, 2018
by
giannozz
Merged
updated
Oct 02, 2018
Detection of MKL libraries modified upon suggestion by Nichols Romero:
!186
· created
Oct 20, 2018
by
giannozz
Merged
updated
Oct 20, 2018
[no-ci] User guide wasn't compiling, small updates to developer guide
!187
· created
Oct 20, 2018
by
giannozz
Merged
updated
Oct 20, 2018
Possible out-of-bound error in DFT+U+J0 with nspin=1
!188
· created
Oct 22, 2018
by
giannozz
Merged
updated
Oct 23, 2018
ion_velocities = 'random' in cp.x now works as expected.
!189
· created
Oct 22, 2018
by
Riccardo Bertossa
Merged
updated
Oct 23, 2018
Merge branch 'dftj0' into 'develop'
!190
· created
Oct 23, 2018
by
giannozz
qe-6.3-backports
Merged
updated
Oct 23, 2018
Minor updates to build mechanism, mostly for MKL on Mac
!191
· created
Oct 23, 2018
by
giannozz
Merged
updated
Oct 23, 2018
[skip ci] Updates to CP input documentation
!192
· created
Oct 23, 2018
by
giannozz
Merged
updated
Oct 23, 2018
Debug in case of ws_use false for velocity.
!193
· created
Oct 23, 2018
by
Samuel Poncé
Merged
updated
Oct 23, 2018
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