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Pull requests: electronic-structure/q-e-sirius

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Pull requests list

[WIP] Send more data from SIRIUS back to QE
#69 opened Nov 25, 2024 by gsavva • Draft
3 tasks done
1
Improve API with additional arguments passed to SIRIUS
#68 opened Nov 8, 2024 by gcistaro Loading…
1
call cudaDeviceReset in sirius finalize
#61 opened Jul 8, 2024 by simonpintarelli • Draft
1
Adding function to calculate <psi|H|psi> in mod_sirius
#55 opened Apr 9, 2024 by toxa81 Loading…
hubbard constrained
#44 opened Nov 14, 2023 by mtaillefumier Loading…
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