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chemle / emle-engine Public

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Add preprocessing of coordinates and switching function - #88

#88

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lohedges merged 4 commits into

chemle:mainchemle/emle-engine:mainfrom

JMorado:feature_preprocessing_switching_functionJMorado/emle-engine:feature_preprocessing_switching_functionCopy head branch name to clipboard

Sep 11, 2026

Conversation Commits4 (4)Checks Files changed

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Add preprocessing of coordinates and switching function#88
lohedges merged 4 commits into
chemle:mainfrom
JMorado:feature_preprocessing_switching_function

Increase tolerance in energy comparison

4eb637c

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Build and test on: pull_request 18

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build (3.9, linux)

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succeeded Sep 11, 2026 in 5s

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