ZMatrix

Molecular geometry via internal coordinates.

Fields

Field	Type	Example
rows	Array<ZRow>	See below

ZRow struct

ZMatrix::ZRow = Struct.new(:atom, :ref1, :distance,
                           :ref2, :angle, :ref3, :dihedral,
                           keyword_init: true)

Each row defines one atom relative to previously-defined atoms.

See Z-Matrix syntax for input format.