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Adding layer specific cutoff and correlation to multi-GPU branch #214

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LarsSchaaf wants to merge 1 commit into ACEsuit:multi-GPU from LarsSchaaf:multi-GPU-layer-specific

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LarsSchaaf commented Nov 7, 2023

Add layer specific correlation and r_max to multi-gpu branch. Related to PRs #212 , #92

correlation and r_max now accepts a list of length num_interactions.

eg.

--num_interactions=3
--correlation="[3,3,1]"
--r_max="[7.0,3.0,7.0]"


          Adding layer specific cutoff and correlation to multi-GPU branch

2954cac

ilyes319 deleted the branch ACEsuit:multi-GPU

September 19, 2024 07:37

ilyes319 closed this

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