v0.0.6

What's Changed

🎉 New Features

• [896337f] gdp session now can accept a timewait argument to run a session repeatedly with a time interval.

🥳 Improvements

• [21961a8] [75c20a2] Save DFT free_energy data.
• [906a983] XyzDataset supports custom property keys.
• [15389a7] Add a ScfErrAtoms to deal with failed DFT calculation.
• [9639323] AseDriver save checkpoints.
• [5505767] Use Controller in Driver to give fine controls on simulation settings.

🐞 Bug Fixes

• [3bc3c23] [5d4bb2c] Fix switch_backend and uncertainty_estimation bugs.
• [4034420] Read achived VASP OUTCAR.
• [aa94747] [8e764e8] LASP fails to restart when bad structure is found.

📄 Other Changes

• [655f6cd] Add VASP spc and md tests.