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Pull requests: electronic-structure/SIRIUS

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Pull requests list

[fi] robust Enu
#1063 opened Mar 24, 2025 by toxa81 Loading…
2
Fix compilation with clang 19
#1062 opened Mar 18, 2025 by simonpintarelli Loading…
1
[fix] more robustness in Enu search
#1060 opened Mar 17, 2025 by toxa81 • Draft
2
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
update base container, use gh200 container builder, remove clang
#1036 opened Dec 11, 2024 by simonpintarelli Loading…
10
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…
9
[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
ProTip! Updated in the last three days: updated:>2025-03-23.