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Foyer 0.10.0

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@umesh-timalsina umesh-timalsina released this 17 Nov 20:45

Features

  • Decouple forcefield from atomtyping step (#467)

Bug Fixes

  • Return periodic torsion parameters, regardless of k value (#471)

Maintenance

  • pre-commit ci autoupdate (#462, #473, #475)
  • Update docker image and re-add anaconda user (#463)
  • Miscellaneous updates related to executable files, accidently tracked files, PEP8 E722 and F523 (#465). Thanks @e-kwsm
  • Use codecov uploader in favor of bash uploader for coverage reports (#468)