Change log

v2018.10.18

  • New bond fragmenter and bond dissociation analysis modules (@samblau)
  • Improvements to MoleculeGraph (@espottesmith)
  • Fix: bug in triclinic tensor conversion to IEEE standard (@montoyjh)
  • Fix: insertion battery summary dictionary format (@jmmshn)
  • Speed improvements to certain tests (@shyuep, @samblau)