amep.thermo.total_kinetic_energy#

amep.thermo.total_kinetic_energy(frame, mass, inertia, mode='total')#

Calculates the kinetic energies per particle.

Parameters:

frame (amep trajectory frame (one time step)) – One time step of the simulation data as amep frame.
mass (float, optional) – Particle mass.
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