VibronicStructureBase

class VibronicStructureBase(molecule)

Bases: abc.ABC

Class to hold a molecular vibronic structure providing access to vibrational modes and energy levels.

Methods

get_maximum_trusted_level	Returns the maximum energy level for which the particular implementation still provides a good approximation of reality.
get_num_modes	Returns the number of vibrational modes for the molecule.
update_molecule	Wipe state if molecule changes, and check validity of molecule for potential.
vibrational_energy_level	Returns the n-th vibrational energy level for a given mode.