SubMode

The SubMode class is an internal class through which the mode keeps track of the fact that in different electronic states of the molecule, a given vibrational mode has different parameters.

class quantarhei.builders.submodes.SubMode(omega: float = 1.0, shift: float = 0.0, nmax: int = 2)

Bases: UnitsManaged, Saveable

Instance of a vibrational mode relative to a give electronic state

When a mode is set on a Molecule object, it has to be indepedently set on each electronic state of the molecule. We keep track of individual parameters of the vibrational mode for each electronic state using this class. SubMode itself has no idea about this.

Examples

>>> sm = SubMode()
>>> print(sm.nmax)
2
>>> print(sm.shift)
0.0
>>> print(sm.omega)
1.0

This class is aware of energy units

>>> import quantarhei as qr
>>> with qr.energy_units("1/cm"):
...     sm = SubMode()
>>> print(sm.omega)
0.0001883651567308853

property omega: Any

property shift: Any

property nmax: Any