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This reverts a change that broke the Coulomb prior. Once #289 is merged, I'll update the HDF5 dataset to support arbitrary user defined fields. The names of the fields will match the names of the entries in the file.

@RaulPPelaez RaulPPelaez merged commit 0be16db into torchmd:main Feb 26, 2024
@peastman peastman deleted the hdf branch February 26, 2024 15:51
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2 participants