amep.thermo.translational_kinetic_energy

amep.thermo.translational_kinetic_energy(frame, mass: float | ndarray, mode='total')

Calculates the translational kinetic energies per particle.

Parameters:

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

• mass (float | np.ndarray) – Particle mass.

• 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