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v1.0.2

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@njzjz njzjz released this 07 May 13:32
· 1 commit to master since this release
bc617b7

What's Changed

Breaking Changes

New Features

Bug Fixes

  • [Fix] Include #TOTAL ENERGY# check in get_energy function of abacus/[md,relax].py by @ZhouXY-PKU in #950
  • fix(rdkit): avoid deprecated explicit valence API by @njzjz-bot in #969

Refactoring

  • refact: refactor format backends into dpdata.formats by @njzjz-bot in #970

Documentation

Build and Maintenance

  • build(pyproject): adopt PEP 639 license metadata by @njzjz-bot in #964
  • chore(deps): bump codecov/codecov-action from 5 to 6 by @dependabot[bot] in #961

New Contributors

Full Changelog: v1.0.1...v1.0.2