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Version 0.0.3

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@davidlmobley davidlmobley released this 23 Nov 00:04
0.0.3
1949533
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Learn about vigilant mode.

This version:

  • Fixes a compatibility issue with updated NetworkX
  • Makes extensive updates to documentation
  • Adds a considerable number of examples
  • Makes OpenMM topologies generated preserve bond order
  • Adds monovalent ion parameters
  • Changes use of a SMIRKS decorator (R vs x) in smirnoff99Frosst for better consistency with non-OpenEye SMARTS/SMIRKS parsers
  • Removes an extra application of OEAssignImplicitHydrogens which could in some cases result in openforcefield changing the protonation state of a molecule
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