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Pull requests: electronic-structure/SIRIUS

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Pull requests list

Fix to IBS force.cpp
#1140 opened Apr 9, 2026 by mrm24 Loading…
2
Correction from DFTD3 to DFTD4 in the API
#1139 opened Apr 7, 2026 by mrm24 Loading…
rocsolver fixes
#1138 opened Mar 24, 2026 by simonpintarelli Collaborator • Draft
11
[feature] Complex CG solver for CRPA response
#1125 opened Feb 2, 2026 by toxa81 Collaborator • Draft
3 of 4 tasks
1
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
add nvtx equivalent for rocm
#940 opened Dec 15, 2023 by simonpintarelli Collaborator Loading…
12
[API] Add function for parsing hubbard.dat style files
#933 opened Dec 1, 2023 by mtaillefumier Collaborator • Draft
@mtaillefumier
12
[feature] Wannier90 interface
#916 opened Nov 7, 2023 by toxa81 Collaborator • Draft
@gcistaro
1
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