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Pull requests: electronic-structure/SIRIUS

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Pull requests list

UENV CI (eiger)
#1055 opened Feb 3, 2025 by simonpintarelli • Draft
10
[fix] set explicit row-major order
#1054 opened Jan 28, 2025 by toxa81 • Draft
UENV CI
#1053 opened Jan 22, 2025 by simonpintarelli Loading…
4
[fix] u-matrix
#1048 opened Jan 15, 2025 by toxa81 • Draft
cherry pick from Giovani's @gcistaro branch
#1043 opened Dec 25, 2024 by toxa81 • Draft
[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…
2
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
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