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0.3.0

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@rsdefever rsdefever released this 14 Dec 20:57
· 32 commits to master since this release

Features:

  • Modify restart function to not require System or MoveSet (#91)
  • Add constrainmol package to fix incorrect bond lengths (#88)
  • Update GCMC adsorption example to load from CIF (#85)
  • Switch install to conda-forge exclusive (#94)

Bugfixes:

  • Fix version dunder so version number is updated and written correctly in .inp files (#92)
  • Add error message if - is used in run_name (#93)
  • Drop support for Python 3.6