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Pull requests: ORCAQuantumChemistry/CompoundScripts

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Pull requests list

Additional section in the README.md to ensure users use the appropriate command blocks
#13 opened Apr 13, 2026 by pwnusmaximus Loading…
Added a script of contained opt with sp
#10 opened Jan 14, 2026 by kfir4444 Loading…
2
XYG3-type functionals update
#9 opened Apr 10, 2025 by jeanwsr Contributor Loading…
1
automative script to run TDDFT-ris calculation
#4 opened Aug 7, 2024 by John-zzh Loading…
2
ProTip! Updated in the last three days: updated:>2026-04-15.