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NonDFT
NEST

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Add SF dispersion gradients and improve geometry scanners - #12

#12

Merged

wtpeter merged 4 commits into

NonDFT:mainNonDFT/NEST:mainfrom

wtpeter:feat/dftdwtpeter/NEST:feat/dftdCopy head branch name to clipboard

Sep 22, 2026

Conversation Commits4 (4)Checks Files changed

Merged

Add SF dispersion gradients and improve geometry scanners#12
wtpeter merged 4 commits into
NonDFT:mainfrom
wtpeter:feat/dftd

Commits

Commits on Sep 22, 2026

feat(sftda): project cached amplitudes in geometry scanners
wtpeter
committed
34ce0b0
feat(grad): add dispersion corrections and SF geometry optimization examples
wtpeter
committed
ca9fd7d
build: include dispersion and geometry optimization dependencies
wtpeter
committed
056c4b3
refactor(sftda): unify restricted and unrestricted reference entry points
wtpeter
committed
fa4d1f5

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