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Pull requests: electronic-structure/SIRIUS

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Pull requests list

[fix] the order of uu- and dd- pw components
#1113 opened Dec 30, 2025 by toxa81 Loading…
10
[fix] mixer inner product
#1112 opened Dec 22, 2025 by toxa81 • Draft
1
Fixes for vdw and fmt libraries
#1081 opened Jul 9, 2025 by mtaillefumier Loading…
45
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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