amep.thermo.rotational_kinetic_energy

amep.thermo.rotational_kinetic_energy(frame, inertia, mode='total')

Calculates the rotational kinetic energies per particle.

Parameters:

• frame (amep trajectory frame (one time step)) – One time step of the simulation data as amep frame.

• inertia (float, optional) – Particle moment of inertia.

• mode (string, optional) –

  Mode of the calculation.

  total : sum over all particles particle : individual particles

Returns:

temp –

Kinetic energy

mode = total : float, total kinetic energy of the system mode = particle : np.ndarray of length N (particle number)

Return type:

np.ndarray