qimpy.dft.geometry.thermostat
Geometry actions: relaxation and dynamics.
Classes
Select between possible geometry actions. |
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Class requirements to use as a thermostat method. |
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No thermostat (or barostat), i.e. NVE ensemble. |
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Nose-Hoover thermostat and/or barostat. |
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Berendsen velocity-rescaling thermostat and/or barostat. |
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Langevin stochastic thermostat and/or barostat. |