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CAT 0.9.10
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@BvB93 BvB93 released this 02 Nov 18:44
· 292 commits to master since this release
0.9.10
0b3f7b3
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Learn about vigilant mode.

See https://github.com/nlesc-nano/CAT/milestone/6:

  • Added the new optional.core.anchor and optional.ligand.functional_groups options,
    which are respectively aliases for the old optional.core.dummy and optional.ligand.functional_groups options.
  • Added a new H3O+ .coskf file.
  • Added a new template for LogP calculations.
  • Enabled tests for Windows.
  • Fixed a recent readthedocs failure.
  • Improve the conformations of ringed systems; ring-substituents are now treated as fragments.
  • For some reason the matplotlib logger is going bananas; its level has been changed from DEBUG (default) to INFO in order to silence it.
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