Module 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.