Module qsym2::interfaces::input

Human-readable QSym² input configuration.

Modules

• analysis
  Symmetry analysis target controls from QSym² input configuration.
• ao_basis
  Human-readable specification of atomic-orbital basis information in QSym² input configuration.

Structs

• Input
  Structure containing QSym2 input parameters which can be serialised into and deserialised from a YAML input file.

Enums

• SymmetryGroupDetectionInputKind
  Enumerated type representing possible input kinds for symmetry-group detection from a YAML input file.