Public API documentation# Fortran API Full reference Handling of geometries and structure Error handling Calculation context High-level interface C API Main header Version query Macro definitions Error handler Context handler Molecular structure data Calculator instance Interaction container Result container Parametrization records Table data structure Python API Library interface Structure Structure Structure.update() Calculator Calculator Calculator.add() Calculator.get() Calculator.set() Calculator.singlepoint() Result Result Result.dict() Result.get() Result.set()