v0.0.7

hsulab released this 20 Apr 02:23

· 286 commits to main since this release

a58208b

What's Changed

🥳 Improvements

[c0a2d24] MACE can use init_models.
[406081e] MC supports earlystopping based on some conditions.

🐞 Bug Fixes

[8da7deb] MC uses the previous run's atoms in active learning.
[9070f7b] VASP NEB restarts incorrectly.
[d6305eb] Descriptor gives overlapped figure plots.

Assets 2