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BioSimSpace 2023.2.1

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@lohedges lohedges released this 15 May 13:18
· 1492 commits to devel since this release
2023.2.1
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lohedges Lester Hedges
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Learn about vigilant mode.
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Learn about vigilant mode.

This is the 2023.2.1 release of BioSimSpace.

What's Changed

  • Fix to make BioSimSpace.IO.readMolecules work with a tuple of files again by @lohedges in #38
  • Update CI for new release process by @lohedges in #34
  • Fix protocol mixin inheritance by @lohedges in #41
  • Update documentation for new development and release process by @lohedges in #43
  • Fix SOMD inverse friction configuration parameter by @lohedges in #49
  • Make clarifications regarding minimisation and equilibration stage in hydration free energy tutorial by @lohedges in #49
  • Fix bug in SOMD test runner function that caused it to return prior to assertions by @lohedges in #49
  • Expose extra_options and extra_lines in BioSmSpace.FreeEnergy.Relative by @lohedges in #49

Full Changelog: 2023.2.0...2023.2.1

Contributors

lohedges
Assets 2
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