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Pull requests: electronic-structure/SIRIUS

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7 Open 1,028 Closed
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Pull requests list

Clean-up API (unnecessary Julia related functions)
#1167 opened Aug 18, 2026 by abussy Collaborator Loading…
rocsolver fixes
#1138 opened Mar 24, 2026 by simonpintarelli Collaborator • Draft
13
cherry pick from Giovani's @gcistaro branch
#1043 opened Dec 25, 2024 by toxa81 Collaborator • Draft
1
[WIP] generate wannier90 input
#1042 opened Dec 25, 2024 by toxa81 Collaborator • Draft
WIP: Meta gga feature
#1027 opened Nov 6, 2024 by toxa81 Collaborator • Draft
5 of 10 tasks
@abussy
7
wfc extrapolation / MD
#1003 opened Jun 13, 2024 by simonpintarelli Collaborator Loading…
4
[feature] Wannier90 interface
#916 opened Nov 7, 2023 by toxa81 Collaborator • Draft
@gcistaro
1
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