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Pull requests: JuliaMolSim/DFTK.jl

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Pull requests list

Add some documentation to phonons
#1312 opened Apr 27, 2026 by antoine-levitt Member Loading…
1
Add NLCC support for phonon computations
#1311 opened Apr 26, 2026 by Technici4n Collaborator Loading…
8
[WIP] Additional exx kernels: Voxel averaged and Wigner-Seitz truncation
#1282 opened Mar 11, 2026 by toschaefer Contributor Loading…
1
Noncollinear (spin_polarization=:full) calculation added
#1273 opened Mar 1, 2026 by physarief78 Loading…
6
Adding DFTKMakieExt.jl & BandsUnfold.jl
#1264 opened Feb 24, 2026 by physarief78 • Draft
4
Optimizing XC instantiation for GPUs
#1262 opened Feb 20, 2026 by abussy Collaborator Loading…
34
Update Optim to version 2
#1255 opened Feb 11, 2026 by mfherbst Member • Draft
Use symmetry for phonon modes calculations
#1251 opened Feb 8, 2026 by antoine-levitt Member • Draft
1
Advertise ACWF results
#1231 opened Jan 15, 2026 by Technici4n Collaborator • Draft
5
Add example solving -div(a∇u)=f using DivAgradOperator with general inclusions
#1228 opened Jan 14, 2026 by Copilot AI • Draft
13 tasks done
1
@antoine-levitt
37
CompatHelper: bump compat for Optim to 2, (keep existing compat)
#1222 opened Jan 10, 2026 by github-actions Bot Loading…
Inject GPU segments in the @timing macro
#1199 opened Dec 4, 2025 by Technici4n Collaborator • Draft
3 tasks
Updates for isbits functionals
#1188 opened Nov 11, 2025 by Technici4n Collaborator • Draft
12
Try adding downgrade CI
#1168 opened Oct 10, 2025 by Technici4n Collaborator • Draft
2
CompatHelper: bump compat for IntervalArithmetic in [weakdeps] to 1, (keep existing compat)
#1152 opened Sep 21, 2025 by github-actions Bot Loading…
[WIP] State refactor
#1142 opened Sep 4, 2025 by Technici4n Collaborator • Draft
15
Reduce RAM usage of nonlocal term
#1088 opened Apr 30, 2025 by Technici4n Collaborator Loading…
1 of 4 tasks
1
21
Add more convergence history to scfres
#1049 opened Jan 15, 2025 by ClementineBarat Contributor Loading…
13
Using Suppressor to silence tests
#957 opened Feb 8, 2024 by epolack Collaborator • Draft
Lattice symmetries
#954 opened Feb 2, 2024 by epolack Collaborator • Draft
1
1
Consistently employ n_bands_converge
#940 opened Dec 28, 2023 by mfherbst Member • Draft
1 of 2 tasks
1
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