__init__(self, mol, coords, potential, dipole=None, values=None, rotation=None): 

@property
potential(self): 

@property
gmatrix(self): 

@property
vprime(self): 

@property
dipole(self): 

setup_AIMD(self, timestep=0.5, initial_energies=None, initial_displacements=None, displaced_coords=None, track_kinetic_energy=False, track_velocities=False, **aimd_opts): 

setup_DGB(self, centers, *, masses=None, modes='normal', transformations=None, alphas='auto', cartesians=None, potential_function=None, dipole_function=None, optimize_centers=None, quadrature_degree=None, expansion_degree=None, pairwise_potential_functions=None, internals=False, logger=True, **opts):