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v2.0.3

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@QG-phy QG-phy released this 05 Jul 09:55
· 33 commits to main since this release
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What's Changed

Feature

  • Feature(nested tensor): support nested tensors for batchlize sampling of irregular shape data by @floatingCatty in #171
  • feat:add support for molecular data. by @QG-phy in #172
  • Feature(PyG data): support nested tensor's dtype and device transformation by @floatingCatty in #174
  • add a new fermi level calculation method in band.py and its example by @AsymmetryChou in #176
  • Feature: add support for Lmdb dataset by @floatingCatty in #177
  • feat(loss): add new loss options to control number bands to exclude in in dft bands. by @QG-phy in #181
  • Update: Organize e3, add e3 statistics in LMDB dataset and add e3 fitting of overlap by @floatingCatty in #183
  • feat: add api to pybinding by @QG-phy in #186
  • Update: support read multiple lmdb data file with LMDBDataset by @floatingCatty in #194

Fix:

DOC

Full Changelog: v2.0.2...v2.0.3