.. _sphx_glr_api_gallery_md_thermostats:

Thermostats
------------

Temperature control for a Lennard-Jones fluid: the Nose-Hoover
extended-system thermostat, Berendsen weak coupling, and
Bussi-Donadio-Parrinello stochastic velocity rescaling.


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  <div id='sg-tag-list' class='sphx-glr-tag-list'></div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Nose&#x27;s extended system, in Hoover&#x27;s friction-coefficient form, adds a single dynamical variable \xi to Newton&#x27;s equations:">

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  .. image:: /api/gallery/md/thermostats/images/thumb/sphx_glr_plot_01_nose_hoover_thermostat_thumb.png
    :alt:

  :doc:`/api/gallery/md/thermostats/plot_01_nose_hoover_thermostat`

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      <div class="sphx-glr-thumbnail-title">The Nose-Hoover thermostat: a friction variable that steers the temperature</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Berendsen and coworkers (1984) couple the system to a heat bath at T_0 by rescaling all velocities each step by">

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  .. image:: /api/gallery/md/thermostats/images/thumb/sphx_glr_plot_02_berendsen_weak_coupling_thumb.png
    :alt:

  :doc:`/api/gallery/md/thermostats/plot_02_berendsen_weak_coupling`

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      <div class="sphx-glr-thumbnail-title">Berendsen's weak coupling: exponential relaxation to the bath temperature</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Bussi, Donadio, and Parrinello (2007) kept Berendsen&#x27;s exponential relaxation of the kinetic energy K but added a stochastic term of exactly the right size,">

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  .. image:: /api/gallery/md/thermostats/images/thumb/sphx_glr_plot_03_stochastic_velocity_rescaling_thumb.png
    :alt:

  :doc:`/api/gallery/md/thermostats/plot_03_stochastic_velocity_rescaling`

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      <div class="sphx-glr-thumbnail-title">Bussi-Donadio-Parrinello: stochastic velocity rescaling samples the canonical ensemble</div>
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.. toctree::
   :hidden:

   /api/gallery/md/thermostats/plot_01_nose_hoover_thermostat
   /api/gallery/md/thermostats/plot_02_berendsen_weak_coupling
   /api/gallery/md/thermostats/plot_03_stochastic_velocity_rescaling