Changes for version 0.16

  • Changed t/builder.t so that it doesn't fail falsely due to non-deterministic behavior.

Modules

Represent the position of an atom using internal coordinates and convert it to Cartesian coordinates. For generating an internal coordinate representation (aka a Z-matrix) of a molecule from its Cartesian coordinates, see the Chemistry::InternalCoords::Builder module.
Build a Z-matrix from cartesian coordinates