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Pull requests: MRChemSoft/mrchem

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Pull requests list

Fixed some issues with the compile scripts
#550 opened Feb 24, 2026 by msnik1999 Loading…
Adjointbugfix
#549 opened Feb 20, 2026 by gitpeterwind Loading…
1
3
Make contracted d-orbitals work in gto initial guess
#546 opened Feb 12, 2026 by MarcusTL12 Loading…
1
Replace duplicated file by a symlink
#545 opened Feb 10, 2026 by susilehtola Loading…
1
3
Use only LDA exchange in SAD guess instead of SVWN5.
#542 opened Feb 2, 2026 by susilehtola Loading…
1
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…
3
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
#521 opened Nov 5, 2025 by Tirtho13 Loading…
10 of 13 tasks
1
@ylvao @Tirtho13
82
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 • Draft
4 of 7 tasks
2
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