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MCTC library version 0.5.0

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@awvwgk awvwgk released this 04 Sep 07:52
fc096d6

Changelog

  • Add support for periodic boundary conditions in QCSchema IO in #93
  • Allow trailing whitespace in mol and sdf inputs in #94
  • Support pymatgen JSON format in #95
  • Allow for dynamically determining JSON schema of input in #96
  • Allow reading molecular charge as float in #99

Full Changelog: v0.4.2...v0.5.0