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globus-labs / faster-molecular-hessians Public

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Separate relaxation settings from hessian settings#29

Merged

WardLT merged 7 commits intomainglobus-labs/faster-molecular-hessians:mainfrom separate-geomglobus-labs/faster-molecular-hessians:separate-geomCopy head branch name to clipboard

Dec 6, 2023

+252-369

Conversation Commits7 (7)Checks Files changed

Commits

Commits on Dec 6, 2023

Separate relaxation method from Hessian method
WardLT
committed
Move the data directory
WardLT
committed
Update sampling notebooks, use uniform dist not exp
WardLT
committed
Merge branch 'separate-geom' of github.com:globus-labs/faster-molecular-hessians into separate-geom
WardLT
committed
Update rotation test
WardLT
committed
Update MBTR notebook
WardLT
committed
Update with new file naming convention
WardLT
committed

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