Merge requests · siesta-project / siesta

Merge trains

Fix version generation script (backport)

!374 · created Oct 08, 2024 by José Mª Escartín 5.0.2 rel-5.0
this-is-a-backport
- Closed
- 1
- 0 of 1 Approvals
updated Oct 22, 2024
Draft: bug solution: Denchar writes cube files with no atoms 0 of 1 checklist item completed

!366 · created Sep 27, 2024 by Anthoni Alcaraz
- Closed
- 1
- 0 of 1 Approvals
updated Oct 02, 2024
Draft: Vibra phase change

!265 · created May 06, 2024 by Nils Wittemeier
- Closed
- 6
- 0 of 1 Approvals
updated Sep 23, 2024
Backport of !262 onto rel-5.0

!363 · created Sep 23, 2024 by Nick R. Papior rel-5.0
this-is-a-backport
- Closed
- 0 of 1 Approvals
updated Sep 23, 2024
Draft: Enable proper selection of ELPA GPU kernels in native interface 1 of 5 checklist items completed

!329 · created Jul 21, 2024 by Alberto Garcia 5.0.2 rel-5.0
to-port-to-dev
- Closed
- 16
- 0 of 1 Approvals
updated Sep 12, 2024
fixed compilation without GPU and ELPA

!353 · created Sep 06, 2024 by Nick R. Papior
- Closed
- 1
- 0 of 1 Approvals
updated Sep 12, 2024
Draft: Parallelization of Vibra

!248 · created Mar 21, 2024 by Federico Pedron
- Closed
- 10
- 0 of 1 Approvals
updated Aug 26, 2024
Extending atom number output format in xv2xsf and related tools. 0 of 1 checklist item completed

!328 · created Jul 18, 2024 by Anthoni Alcaraz
- Closed
- 4
- 0 of 1 Approvals
updated Aug 23, 2024
Streamlined usage of UseSaveXV and UseSaveZM.

!348 · created Aug 22, 2024 by Federico Pedron 5.2
- Closed
- 5
- 0 of 1 Approvals
updated Aug 22, 2024
truncated configured outputs to max 400 bytes 1 of 1 checklist item completed

!332 · created Jul 23, 2024 by Nick R. Papior 5.0.2
to-backport
- Closed
- 4
- Approved
updated Aug 01, 2024
Backport of 301 onto rel-5.0

!303 · created Jun 14, 2024 by Nick R. Papior rel-5.0
this-is-a-backport
- Closed
- 1
- 0 of 1 Approvals
updated Jun 14, 2024
I am trying to design an electrode and I already have siesta compiled on my computer. 0 of 5 checklist items completed

!296 · created Jun 02, 2024 by emy sh master
- Closed
- 1
- 0 of 1 Approvals
updated Jun 03, 2024
Fixed basis_io error in utilities.

!253 · created Apr 04, 2024 by Federico Pedron rel-5.0
backported-to-rel-5.0
- Closed
- 0 of 1 Approvals
updated Apr 04, 2024
Use procedure pointers to support callbacks more robustly

!145 · created May 09, 2023 by Alberto Garcia 5.0.0-beta1 master
- Closed
- 5
- 0 of 1 Approvals
updated Feb 29, 2024
tweaked spack elpa dependency version

!225 · created Dec 14, 2023 by Vladimir Dikan master
- Closed
- 6
- 0 of 1 Approvals
updated Dec 18, 2023
Fix denchar: missing call to 'chemical' module

!228 · created Dec 18, 2023 by Alberto Garcia master
- Closed
- 2
- 0 of 1 Approvals
updated Dec 18, 2023
Draft: (Test tolerances checking): awk script to create yaml files

!202 · created Oct 26, 2023 by Alberto Garcia 5.0.0 master
- Closed
- 3
- Approved
updated Nov 24, 2023
Changed smearing value to be true sigma

!139 · created Mar 27, 2023 by Nick R. Papior 5.0.0-beta1 master
- Closed
- 27
- 0 of 1 Approvals
updated Sep 27, 2023
maint: added frequency and velocity

!152 · created Jul 06, 2023 by Nick R. Papior 5.0.0-beta1 master
- Closed
- 6
- 0 of 1 Approvals
updated Sep 22, 2023
removed makefiles, rely on CMake now

!149 · created Jul 05, 2023 by Nick R. Papior 5.0.0-beta1 master
- Closed
- 6
- 0 of 1 Approvals
updated Sep 22, 2023