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Fix HDF5 not understanding some files #313

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merged 2 commits into from
Apr 4, 2024
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RaulPPelaez
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HDF5 breaks backwards comp when preloading to cache if the user passes a dataset in which energy has shape (nsamples,) instead of (nsamples,1).
This PR fixes it.

@RaulPPelaez RaulPPelaez marked this pull request as ready for review April 2, 2024 14:57
@RaulPPelaez RaulPPelaez merged commit 74702da into torchmd:main Apr 4, 2024
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@RaulPPelaez RaulPPelaez deleted the hdf_fix branch April 4, 2024 09:16
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2 participants