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Pull requests: electronic-structure/SIRIUS

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Pull requests list

Fix ROCm<6 compilation and unify device UUID formatting
#1131 opened Feb 13, 2026 by alephpiece Loading…
[cmake] SIRIUS cmake configuration can be accessed by other packages
#1130 opened Feb 12, 2026 by mtaillefumier Loading…
[feature] Energy consumption profiler
#1129 opened Feb 11, 2026 by toxa81 • Draft
[feature] Complex CG solver for CRPA response
#1125 opened Feb 2, 2026 by toxa81 • Draft
1 of 4 tasks
cherry pick from Giovani's @gcistaro branch
#1043 opened Dec 25, 2024 by toxa81 • Draft
1
[WIP] generate wannier90 input
#1042 opened Dec 25, 2024 by toxa81 • Draft
WIP: Meta gga feature
#1027 opened Nov 6, 2024 by toxa81 • Draft
5 of 10 tasks
@abussy
7
wfc extrapolation / MD
#1003 opened Jun 13, 2024 by simonpintarelli Loading…
4
add nvtx equivalent for rocm
#940 opened Dec 15, 2023 by simonpintarelli Loading…
12
[API] Add function for parsing hubbard.dat style files
#933 opened Dec 1, 2023 by mtaillefumier • Draft
@mtaillefumier
12
[feature] Wannier90 interface
#916 opened Nov 7, 2023 by toxa81 • Draft
@gcistaro
1
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