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Pull requests: electronic-structure/SIRIUS

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Pull requests list

nlcg api change
#1072 opened Apr 22, 2025 by simonpintarelli Loading…
11
add -Werror
#1071 opened Apr 17, 2025 by simonpintarelli Loading…
3
CI on beverin
#1067 opened Apr 10, 2025 by simonpintarelli • Draft
17
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…
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! What’s not been updated in a month: updated:<2025-04-06.