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Pull requests: MRChemSoft/mrchem

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Pull requests list

KAIN for complex orbitals
#540 opened Jan 20, 2026 by edinvay Loading…
3
Grad(E) WIP Work in progress
#537 opened Jan 9, 2026 by edinvay • Draft
1
Update to SAD routines and data
#535 opened Dec 21, 2025 by susilehtola Loading…
2
Implement external magnetic field operator
#534 opened Dec 19, 2025 by moorberry • Draft
Population analysis feature
#525 opened Dec 2, 2025 by msnik1999 • Draft
5
Adding Libxc support feature WIP Work in progress
#521 opened Nov 5, 2025 by Tirtho13 Loading…
7 of 13 tasks
@ylvao
51
WIP: Mrchem+DMRG
#518 opened Oct 29, 2025 by martinanibbi • Draft
2
Pseudopotentials and numeric orbitals for initial guess
#502 opened Feb 21, 2025 by moritzgubler Loading…
25
Core hole calculations with MOM / IMOM feature
#481 opened Apr 22, 2024 by msnik1999 Loading…
@Gabrielgerez
9
Excited states solver WIP Work in progress
#437 opened Nov 10, 2022 by Gabrielgerez • Draft
4 of 7 tasks
2
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