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mBuild 0.10.5

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@daico007 daico007 released this 18 Feb 21:22

Features

  • Add internal XYZ writer (#410)
  • Add Lennard-Jones unit systems to LAMMPS writer (#646)
  • Add a function that returns a populated lattice box (get_populated_box) (#661)
  • Add SDF reader/writer (via OpenBabel) (#674)
  • Add _BoxArray subclass that allows single box dimensions to be set for mbuild.Box instances (#672, #686)

Bug Fixes

  • Update deprecated GSD syntax after v2.0.0 (#682)
  • Fix MCF writer for systems with no defined bonds (#662)

Maintenance

  • Remove old landscape YAML (#669)
  • Add protobuf import message to io.py (#670)
  • Migrate mBuild documentation to Read the Docs (#693)

Miscellaneous

  • Add recipes links to README (#659)