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globus-labs / faster-molecular-hessians Public

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Add ability to deploy on HPC#31

Merged

WardLT merged 6 commits intomainglobus-labs/faster-molecular-hessians:mainfrom deploy-hpcglobus-labs/faster-molecular-hessians:deploy-hpcCopy head branch name to clipboard

Dec 7, 2023

+150-21

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Dec 7, 2023

Send whole atoms record back
WardLT
committed
Run ASE inside a temporary directory
WardLT
committed
Test with >1 worker
WardLT
committed
Add option for loading parsl configuration
WardLT
committed
Name the run directory based on hessian method
WardLT
committed
Test the parsl config loader
WardLT
committed

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