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MatthewRHermes / mrh Public

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Added a framework to do the DKH scalar relativistic corrections in PySCF#133

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JangidBhavnesh wants to merge 4 commits intoMatthewRHermes:devMatthewRHermes/mrh:devfrom JangidBhavnesh:masterJangidBhavnesh/mrh:masterCopy head branch name to clipboard

+1,445

Conversation Commits4 (4)Checks Files changed

Commits

Commits on Dec 7, 2024

Added the DKH framework
JangidBhavnesh
committed
Tried to update the CMakefile to compile the DKH
JangidBhavnesh
committed
Example added for the dkh
JangidBhavnesh
committed
Unit test added
JangidBhavnesh
committed

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