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QEF - Quantum ESPRESSO Foundation
q-e
Merge requests
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20
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2,164
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137
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Created date
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
Optimization of the selecq routine.
!194
· created
Oct 29, 2018
by
Samuel Poncé
Merged
1
updated
Oct 30, 2018
1) Implementation of the PHonon+U code, 2) Some changes in HP.
!195
· created
Oct 30, 2018
by
Iurii Timrov
Merged
updated
Nov 01, 2018
Minor and not-so-minor bugs and bugs-not-bugs:
!196
· created
Nov 01, 2018
by
giannozz
Merged
updated
Nov 01, 2018
The behavior of "make install" is incorrect.
!197
· created
Nov 01, 2018
by
Mitsuaki KAWAMURA
Merged
updated
Nov 01, 2018
pw2critic & another fft_fact related bug fix for open_grid.x
!198
· created
Nov 05, 2018
by
Alberto Otero de la Roza
Merged
9
updated
Nov 12, 2018
Increase precision of phDOS output (frequency and total DOS) in matdyn.x
!199
· created
Nov 05, 2018
by
Alberto Otero de la Roza
Merged
updated
Nov 05, 2018
Final XDM parameters for NC pseudos and hybrid functionals
!200
· created
Nov 06, 2018
by
Alberto Otero de la Roza
Merged
updated
Nov 06, 2018
Miscellanous updates to documentation and dependencies
!201
· created
Nov 08, 2018
by
giannozz
Merged
updated
Nov 08, 2018
Wyckoff positions
!202
· created
Nov 08, 2018
by
giannozz
Merged
2
updated
Nov 08, 2018
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