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v0.4.0

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@Cloudac7 Cloudac7 released this 20 Nov 07:30
· 93 commits to master since this release
v0.4.0
e8cf813

We're excited to announce the release of CatFlow v0.4.0! With a new more meaningful name, it could be better fitted in and remembered.
This version includes several new features, improvements, and bug fixes over the previous version.

New Features

  • Include simple analyzer on atomic energy decomposition from DeePMD-kit.
  • MDAnalysis based analyzer on trajectories, like coordination number, distance and so on.

Improvements

  • Reimplemented Lindemann index calculator.

To upgrade to this version, please follow the installation instructions in the README. As always, we welcome your feedback and contributions. Thank you for your support!

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