Intramolecular Vibrational ModesΒΆ

Intramolecular vibrational modes are represented by two classes. The Mode class is a user class for creation of intramolecular modes. The SubMode class is a class for internal use, which keeps track of differences of the parameters of the same intramolecular mode with respect to different electronic states of the molecule.

Details of the two classes can be found below: