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Pull requests: electronic-structure/SIRIUS

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Pull requests list

[feature] proper I/O from/to hdf5
#1028 opened Nov 6, 2024 by toxa81 • Draft
5 of 10 tasks
3
WIP: Meta gga feature
#1027 opened Nov 6, 2024 by toxa81 • Draft
7 tasks
@abussy
1
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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