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snurr-group / gRASPA Public

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Better GPU total energy and print GPU energy drift#40

Merged

Zhaoli2042 merged 2 commits intosnurr-group:mainsnurr-group/gRASPA:mainfrom Zhaoli2042:mainZhaoli2042/gRASPA_fork:mainCopy head branch name to clipboard

Aug 4, 2024

+1,879-650

Conversation Commits2 (2)Checks Files changed

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Commits on Aug 4, 2024

1. better GPU total energy calculation
Zhaoli2042
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Merge branch 'main' of https://github.com/Zhaoli2042/gRASPA_fork
Zhaoli2042
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