espressopp.analysis.Temperature

Calculate the temperature of the system (in \(k_B T\) units).

espressopp.analysis.Temperature(system)

Parameters:system (shared_ptr) – system object Returns:temperature Return type:real

Temperature of the system of \(N\) particles is calculated as:

\[T = \frac{1}{N_f} \sum^N_{i=1} m_i v_i^2,\]

where \(m_i\) and \(v_i\) are the mass and velocity of a particle \(i\).

\(N_f = 3N\) is the number of the system’s degrees of freedom.

Example:

>>> # declare an object, e.g., T:
>>> T   = espressopp.analysis.Temperature(system)
>>>
>>> # later in your script compute temperature and print it:
>>> print T.compute()