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v0.0.3

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@hsulab hsulab released this 12 Dec 16:16
· 713 commits to main since this release
b794638

What's Changed

🎉 New Features

  • [db44abd] [7901260] Add graph and cartesian comparators and an interface in the selector. Tests are required in the future.

🥳 Improvements

  • [69c78cf] [bcd0e9e]Accelerate read_convergence in DriverBasedWorker.

🐞 Bug Fixes

  • [86e9d44] Random builder max_times_size parameter.
  • [6ac6ea5] VaspDriver restarts with incorrect POSCAR structure.
  • [eee130c] [67c3040] Update LaspDriver to use the checkpoint framework.

📄 Other Changes