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Foyer 0.7.0
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@daico007 daico007 released this 11 Oct 18:17
0.7.0
840552b
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Breaking Changes

  • Officially drop Python 2.7 (#257)

Features

  • Add workaround function for applying nbfixes (#268)
  • Store atomtyping results in a dict instead of the topology (#249)
  • Add overrides term to xml_writer (#254)
  • Remove undefined atom types from SMARTS string in xml_writer (#255)

Bug fix

  • Change OS oxygen atoms in silica.mol2 file to O (#260)

Maintenance

  • Use vector graphics for gitter badge on the README.md (#248)
  • Update links for COMMAT paper (#251)
  • Enforce deletion of temporary XML files (#252)
  • Update links in README.md (#253)
  • Improve documentation of various Foyer classes and functions (#261, #263, #266)
  • Remove duplicate docs files (#270)
  • Add some pytest skips for has_mbuild = False (#272)
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