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copy default CP2K dict per evaluation#71

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svandenhaute merged 1 commit intomainfrom
cp2k_fix
Mar 10, 2025
Merged

copy default CP2K dict per evaluation#71
svandenhaute merged 1 commit intomainfrom
cp2k_fix

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fixes #64

@svandenhaute svandenhaute merged commit 2def01b into main Mar 10, 2025
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@pdobbelaere pdobbelaere deleted the cp2k_fix branch April 8, 2025 14:53
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np.allclose assertion fails after CP2K evaluation

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