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gpaw
gpaw
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Popularity
Draft: Only include symmetries compatible with pbc
!1834
· created
Aug 02, 2023
by
Jens Jørgen Mortensen
2
2
updated
Aug 09, 2023
ENH: Print the applied constraints in the positions table of the log
!944
· created
Oct 07, 2021
by
Georg Kastlunger
22
2
updated
Jan 25, 2024
ENH: Fix convergence issues in PolarizationPoissonSolver
!1129
· created
May 24, 2022
by
Michael Walter
1
updated
Feb 09, 2024
Poisson solver with gaussian charges
!938
· created
Sep 24, 2021
by
Mejdeddine Mokhtar
4
1
updated
Jan 13, 2022
Draft: Response function dataclass
!2280
· created
May 01, 2024
by
Thorbjørn Skovhus
Response
updated
May 01, 2024
Sparse atomic corrections to new GPAW round 2: Parallel basis index fix
!2279
· created
May 01, 2024
by
Anubhab Haldar
updated
May 01, 2024
Draft: Add possibility to calculate one q-point at time (for multi job parallelization)
!2278
· created
Apr 30, 2024
by
Mikael Kuisma
updated
Apr 30, 2024
Move legacy result methods on legacy `DielectricFunction` object
!2277
· created
Apr 30, 2024
by
Thorbjørn Skovhus
Response
Sprint
in progress
updated
May 01, 2024
validate_dict was comparing equality on floating point list
!2274
· created
Apr 30, 2024
by
Mikael Kuisma
Response
updated
Apr 30, 2024
Draft: Dipole-layer and Constant-e-field stuff
!2266
· created
Apr 22, 2024
by
Jens Jørgen Mortensen
updated
Apr 26, 2024
Draft: Simple real-space grid check
!2264
· created
Apr 22, 2024
by
Jens Jørgen Mortensen
updated
Apr 30, 2024
FIX: quick fix for failing spin contamination
!2262
· created
Apr 16, 2024
by
Michael Walter
8
Approved
updated
Apr 26, 2024
Draft: Separate direct and indirect term loops, modify get_density_matrix to directly...
!2255
· created
Apr 09, 2024
by
Mikael Kuisma
Response
4
updated
Apr 11, 2024
Added "bands" to the convergence criteria output section
!2236
· created
Mar 27, 2024
by
Terence Tsang
updated
Mar 27, 2024
Draft: Update to ASE Wannier functions
!2224
· created
Mar 25, 2024
by
JakobKSvaneborg
updated
Mar 27, 2024
Add field enhancement example to LCAOTDDFT tutorial
!2219
· created
Mar 22, 2024
by
Tuomas Rossi
8
updated
Mar 25, 2024
Draft: Try improving pseudopotential accuracy
!2205
· created
Mar 14, 2024
by
Mikael Kuisma
updated
Mar 14, 2024
Try to clean up mapping from basis functions to partial waves + fix GLLBSC bug
!2203
· created
Mar 13, 2024
by
Jens Jørgen Mortensen
3
updated
Apr 02, 2024
FD-gradient fix for bad cells
!2169
· created
Feb 15, 2024
by
Jens Jørgen Mortensen
6
updated
Apr 30, 2024
Draft: Update how sigma is passes to G0W0Calculator
!2168
· created
Feb 13, 2024
by
Mikael Kuisma
updated
Feb 13, 2024
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