Category:Thermostats: Difference between revisions

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This category describes briefly the theory behind thermostats and explains how to perform molecular dynamics calculations using thermostats.
The user can choose between stochastic thermostats:
*{{TAG|Andersen thermostat}}.
*{{TAG|Langevin thermostat}}.
And deterministic:
*{{TAG|Nose-Hoover thermostat}}.
All thermostats are available in the NVT ensemble but currently only the {{TAG|Langevin thermostat}} is available for the NpT ensemble.
[[Category:VASP|Thermostats]][[Category:Molecular Dynamics]]
[[Category:VASP|Thermostats]][[Category:Molecular Dynamics]]

Revision as of 06:50, 3 June 2019

This category describes briefly the theory behind thermostats and explains how to perform molecular dynamics calculations using thermostats.

The user can choose between stochastic thermostats:

And deterministic:

All thermostats are available in the NVT ensemble but currently only the Langevin thermostat is available for the NpT ensemble.