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molmod / psiflow Public

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Replacing i-Pi optimisations with ASE#62

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pdobbelaere wants to merge 3 commits intomolmod:mainmolmod/psiflow:mainfrom pdobbelaere:mainpdobbelaere/psiflow:mainCopy head branch name to clipboard

+337-191

Conversation Commits3 (3)Checks Files changed

Commits

Commits on Jan 9, 2025

moved functions setup_sockets
pdobbelaere
committed
replaced i-Pi with ASE
pdobbelaere
committed
added new cell opt tests
pdobbelaere
committed

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