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mBuild 0.13.0

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@daico007 daico007 released this 13 Aug 21:36

Features

  • Add constraints options to Compound.energy_minimize() (#941)
  • Add mass as an attribute of Compound (#869)
  • Add support for HOOMD-Blue v3 (#871)
  • General improvements to the GOMC writer (#937)

Maintenance

  • Update windows installation instructions (#945)
  • Migrate azure pipeline environment creation to use mamba (#938)
  • Pre-commit autoupdate (#939)
  • Update docstring for conversion.py (#942)
  • Update Docker image information and entry point (#943)