The heat is on
------------------


    * **Topic:** temperature, pressure, thermostats, measurements
    * **Task:** 
        1. Implement the Berendsen thermostat.
        2. Run a simulation using ``fcc.txt`` with and without the thermostat 
           and with different values of :math:`\tau`.
           Study how temperature and energy behave in both cases.
        3. Measure the pressure. Study how the calculated pressure and its error estimate
           depend on (1) thermalization time, (2) total simulation time and (3) sample length.
        4. Study how the pressure depends on temperature.
           Also calculate the pressure in ``fcc_compress.txt`` and 
           ``fcc_strech.txt`` and compare to previous results.
    * **Template:** `temp.py <http://users.utu.fi/tejohy/teaching/simu/templates/temp.py>`_
    * **Data:** 
        - `fcc.txt <http://users.utu.fi/tejohy/teaching/simu/templates/fcc.txt>`_
        - `fcc_compress.txt <http://users.utu.fi/tejohy/teaching/simu/templates/fcc_compress.txt>`_
        - `fcc_stretch.txt <http://users.utu.fi/tejohy/teaching/simu/templates/fcc_stretch.txt>`_
    * **Further reading:** 
        - `https://en.wikipedia.org/wiki/Nosé–Hoover_thermostat <https://en.wikipedia.org/wiki/Nosé–Hoover_thermostat>`_
        - https://en.wikipedia.org/wiki/Langevin_dynamics
        - https://en.wikipedia.org/wiki/Berendsen_thermostat


temp.py
#################

.. automodule:: temp
    :members:
    :undoc-members: