Interaction mechanism between ChemAdder and SpinAdder

Communication between ChemAdder and SpinAdder is carried through files. When QMSA is run ChemAdder saves the spectral parameters to the temporary parameter file and the iterator parameters to a profile file and sends the files to SpinAdder. As SpinAdder exits, it saves the files and ChemAdder reads them in. The observed and calculated spectra are stored into a one Quantum Mechanical Transition file (*.qmt). Below is a scheme of the interface.