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v0.2.1

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@pxlxingliang pxlxingliang released this 26 Sep 10:07
· 240 commits to develop since this release
28f18d0

What's Changed

  • Add PYATB_COMMAND in env.json
  • Update DFT+U settings in abacus_prepare
  • Update tempelate agent.py generated by abacusagent --create
  • Update tool functions to avoid direct use of other tool function
  • README.md were updated
    Full Changelog: v0.2.0...v0.2.1