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Pull requests: JuliaMolSim/DFTK.jl

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Pull requests list

Update Optim to version 2
#1255 opened Feb 11, 2026 by mfherbst • Draft
Add dependency citations and reorganize documentation into separate pages
#1253 opened Feb 10, 2026 by Copilot AI Loading…
11 tasks done
1
@antoine-levitt
24
Use symmetry for phonon modes calculations
#1251 opened Feb 8, 2026 by antoine-levitt Loading…
1
Refactor SiliconLDA to explicitly import TestCases
#1243 opened Jan 25, 2026 by bitbroke Loading…
1
1
Consistent used of basis.comm_kpts
#1241 opened Jan 23, 2026 by abussy Loading…
18
[WIP] Optimize response for GPUs
#1237 opened Jan 22, 2026 by abussy Loading…
5 tasks
31
Advertise ACWF results
#1231 opened Jan 15, 2026 by Technici4n • 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
[WIP] Exact exchange
#1223 opened Jan 12, 2026 by toschaefer • Draft
65
CompatHelper: bump compat for Optim to 2, (keep existing compat)
#1222 opened Jan 10, 2026 by github-actions bot Loading…
CompatHelper: bump compat for IntervalArithmetic in [extras] to 1, (keep existing compat)
#1210 opened Dec 13, 2025 by github-actions bot Loading…
Inject GPU segments in the @timing macro
#1199 opened Dec 4, 2025 by Technici4n • Draft
3 tasks
Updates for isbits functionals
#1188 opened Nov 11, 2025 by Technici4n • Draft
12
Balancing strategy example
#1174 opened Oct 20, 2025 by gkemlin Loading…
1
Automate elastic_constants by AD-DFPT as a postprocessing
#1172 opened Oct 15, 2025 by niklasschmitz Loading…
3 of 5 tasks
16
Try adding downgrade CI
#1168 opened Oct 10, 2025 by Technici4n • Draft
2
Port AtomicLocal integration to GPU
#1163 opened Oct 7, 2025 by abussy Loading…
19
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 • Draft
15
Ultrasoft pseudopotentials
#1125 opened Jul 29, 2025 by Technici4n • Draft
23
direct_minimization with Manopt.jl as a weak dependency
#1105 opened Jun 3, 2025 by kellertuer Loading…
7 tasks done
65
Reuse stored projectors in AtomicNonlocal forces
#1101 opened May 22, 2025 by abussy Loading…
3
Reduce RAM usage of nonlocal term
#1088 opened Apr 30, 2025 by Technici4n Loading…
1 of 4 tasks
1
21
Fix Fermi level variation at zero temperature
#1059 opened Feb 11, 2025 by niklasschmitz • Draft
1 of 2 tasks
4
Add more convergence history to scfres
#1049 opened Jan 15, 2025 by ClementineBarat Loading…
13
ProTip! Updated in the last three days: updated:>2026-02-09.