3.4.1

• Updated handling of Dimer distortions:
  • The default dimer bond lengths are now set to match known covalent bond lengths (e.g. for O-O, S-S,
    O-N etc), or failing that, the sum of their covalent radii (rather than prev hard default of 2 Å).
  • Alternatively, dimer bond lengths can be specified by the user, both in the distortions functions
    and in the higher level shakenbreak.input functions/classes (i.e. in Distortions).
• Added distort_and_rattle convenience function to distortions, to easily apply the SnB distortions
  and rattling (where rattling is not applied to the bond-distorted atoms) to a given structure. Useful for
  power users.
• Minor code streamlining and simplification in inputs/distortions.