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Pull requests: JuliaMolSim/DFTK.jl

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Pull requests list

Minor optimization of the LOBPCG solver
#1037 opened Dec 18, 2024 by abussy Loading…
Inexact Krylov for linear response
#1027 opened Nov 25, 2024 by bonans Loading…
Tweak bookkeeping in LOBPCG
#980 opened Jun 5, 2024 by antoine-levitt Loading…
Using Suppressor to silence tests
#957 opened Feb 8, 2024 by epolack Draft
Lattice symmetries
#954 opened Feb 2, 2024 by epolack Draft
Consistently employ n_bands_converge
#940 opened Dec 28, 2023 by mfherbst Draft
1 of 2 tasks
[WIP-WIP] BlochWaves structure
#931 opened Dec 14, 2023 by epolack Draft
regression tests & benchmark
#929 opened Dec 12, 2023 by epolack Draft
5 of 12 tasks
Support isolated systems
#913 opened Nov 23, 2023 by epolack Draft
Experimental AMDGPU support gpu Label for GPU-related issues
#858 opened May 17, 2023 by mfherbst Draft
Rewrite Wannier interface
#854 opened May 11, 2023 by qiaojunfeng Loading…
Multicomponents breaking Breaks public API and requires major version bump
#851 opened Apr 20, 2023 by epolack Loading…
1 task
Adaptive Sternheimer tolerance for solve_Ω_plus_K
#737 opened Sep 28, 2022 by mfherbst Loading…
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