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Pull requests: MRChemSoft/mrchem

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Pull requests list

ZORA 2C + complex/multicomponent mrcpp
#568 opened Jun 16, 2026 by Dheasra Loading…
5 tasks
Modernize MRChem dependencies Pull requests that update a dependency file docs Anything about the MRChem documentation enhancement WIP Work in progress
#560 opened Apr 23, 2026 by msnik1999 Contributor • Draft
14 of 20 tasks
2
@MarcusTL12 @Gabrielgerez
@ylvao @msnik1999
Use only LDA exchange in SAD guess instead of SVWN5. reviewable PR is ready, but needs some updates, such as ensuring tests pass
#542 opened Feb 2, 2026 by susilehtola Contributor Loading…
1
KAIN for complex orbitals reviewable PR is ready, but needs some updates, such as ensuring tests pass
#540 opened Jan 20, 2026 by edinvay Contributor Loading…
3
Grad(E) WIP Work in progress
#537 opened Jan 9, 2026 by edinvay Contributor • Draft
1
Update to SAD routines and data
#535 opened Dec 21, 2025 by susilehtola Contributor Loading…
3
Implement external magnetic field operator
#534 opened Dec 19, 2025 by moorberry • Draft
WIP: Mrchem+DMRG
#518 opened Oct 29, 2025 by martinanibbi • Draft
2
Excited states solver WIP Work in progress
#437 opened Nov 10, 2022 by Gabrielgerez Contributor • Draft
4 of 7 tasks
2
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