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siesta-project
siesta
Merge requests
Open
30
Merged
117
Closed
33
All
180
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Created date
Draft: Add 'unit_convfac'. Update units in denchar and macroave
!182
· created
Sep 25, 2023
by
Alberto Garcia
5.0-beta
1 left
0
updated
Sep 25, 2023
Fixes S printing for serial.
!181
· created
Sep 25, 2023
by
Federico Pedron
5.0-beta
Bug
1 left
4
updated
Sep 25, 2023
Documentation additions regarding ScaLAPACK, Git, and Release Notes.
!180
· created
Sep 22, 2023
by
Federico Pedron
5.0-beta
documentation
1 left
3
updated
Sep 25, 2023
Draft: Fix problems with gridxc handler support
!175
· created
Sep 21, 2023
by
Alberto Garcia
5.0-beta
Bug
code ehnancement
1 left
1
6
updated
Sep 25, 2023
Draft: Changes for nvfortran in Leonardo (wip)
!173
· created
Sep 20, 2023
by
Alberto Garcia
1 left
6
updated
Sep 25, 2023
Create fat_atomic with a different orbital interaction criterion
!166
· created
Aug 15, 2023
by
antelmor
1 left
9
updated
Sep 01, 2023
Update spack package definition for siesta
!165
· created
Jul 14, 2023
by
Nils Wittemeier
1 left
6
updated
Jul 18, 2023
Add build type ASAN to compile with address sanitizer from libasan.
!163
· created
Jul 14, 2023
by
Nils Wittemeier
1 left
15
updated
Jul 18, 2023
Draft: Modified defaults for basis sets generation
!151
· created
Jul 06, 2023
by
Federico Pedron
5.0-beta
1 left
1
15
updated
Jul 07, 2023
Draft: Add symmetry support through spglib
0 of 7 checklist items completed
!144
· created
May 03, 2023
by
Arnold Kole
1 left
0
updated
May 03, 2023
Draft: Matel enhancements + extra parallelizations
!140
· created
Apr 12, 2023
by
Alberto Garcia
BSC
1 left
0
updated
Apr 19, 2023
Draft: Interface to the ELSI library of solvers
!136
· created
Mar 10, 2023
by
Alberto Garcia
1 left
0
updated
Jul 13, 2023
Draft: Remove MPI bottlenecks in grid initialization
!117
· created
Dec 21, 2022
by
Alberto Garcia
BSC
1 left
0
updated
Apr 19, 2023
Draft: Improved NETCDF output
!116
· created
Dec 21, 2022
by
Alberto Garcia
BSC
1 left
1
updated
Apr 19, 2023
Draft: Re-implement FFT: new ordering and FFTW option
!115
· created
Dec 21, 2022
by
Alberto Garcia
BSC
1 left
1
updated
Apr 19, 2023
Add separate mixer of spin part of H/DM
!113
· created
Nov 29, 2022
by
Nils Wittemeier
1 left
4
updated
Jan 09, 2023
Draft: Refactoring to avoid energies as global variables
!110
· created
Jul 29, 2022
by
Pol Febrer
1 left
13
updated
May 17, 2023
Draft: Changes for fixing CheSS compilation
!100
· created
Jun 10, 2022
by
Alberto Garcia
1 left
2
updated
Sep 23, 2023
Draft: New SIESTA-QM/MM interface
!93
· created
Mar 21, 2022
by
Federico Pedron
1 left
2
updated
Sep 25, 2023
Draft: Enhancements in alloc module -- proc pointers
!80
· created
Jan 31, 2022
by
Alberto Garcia
1 left
17
updated
May 09, 2023
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