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v0.0.8

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@hsulab hsulab released this 21 Apr 01:28
· 259 commits to main since this release

What's Changed

πŸ₯³ Improvements

  • [d53b8b8] Make some potential managers broadcastable.
  • [1d91eeb] AseDriver can save a given number of checkpoints by setting ckpt_number.

🐞 Bug Fixes

  • [bdc7071] pair_stru operation status is not updated correctly in active learning.
  • [f82e471] ase-neb restarts with incorrect step.
  • [317c479] Mace training cannot initialise a checkpoint.

πŸ“„ Other Changes

  • [7148143] Worker input file is saved both for local and queue jobs.