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Retrained ethanol model for new postprocessing convention #388

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merged 2 commits into from
Feb 14, 2022

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Model for tutorial now uses do_postprocessing. Fixed typo in SchNetPackCalculator.

@mgastegger mgastegger requested a review from ktschuett February 11, 2022 17:36
@ktschuett ktschuett merged commit 83f3fef into dev Feb 14, 2022
@ktschuett ktschuett deleted the mg/md_tutorial_model branch February 14, 2022 12:16
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