Feature: add support for Lmdb dataset

deepmodeling / DeePTB

DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.

GNU Lesser General Public License v3.0

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Closed floatingCatty closed 3 months ago

floatingCatty commented 4 months ago

Implemented an LMDB AtomicDataset, which loads the data on the fly during the training.
Implemented data parsing tools from abacus single point calculation output to LMDB style dataset.