v2.0.1

What's Changed

Feature:

• feat(dftb): add support sk params from DFTB skf files . by @QG-phy in #133
• add E3 features (node/edge) to Hamiltonian/density blocks by @floatingCatty in #129
• feat(command): add a cskf command to collect the skfiles into a pth database by @QG-phy in #134
• update write block function in the command line by @floatingCatty in #132

Fix:

• fix(embedding): The numerical instability in constructing the descriptors for high symmetry structures. by @floatingCatty in #135
• fix(se2): update the smooth function in getting the env descriptor by @QG-phy in #136
• fix(run): update run.py, to make the dptb run command available: by @QG-phy in #128

Docs

• update mix.ep50.pth, mix.iter500.pth and train_config.json by @QG-phy in #126
• update h-BN example, including the checkpoints and the related doc. by @QG-phy in #127

Note: This version fixes numerical instability in constructing the environment descriptors in the env-correction term in deeptb for structures with high symmetry (usually for ideal crystal structures).

It is highly recommended for users to update to the new version.

Full Changelog: v2.0.0...v2.0.1