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Thermostating and barostating #7

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Luthaf opened this issue Dec 17, 2014 · 0 comments
Open
2 of 6 tasks

Thermostating and barostating #7

Luthaf opened this issue Dec 17, 2014 · 0 comments
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@Luthaf
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Luthaf commented Dec 17, 2014

Another meta-issue about thermostating and barostating the system. There are two ways to do this :

Enforcing the parameters after the integration

This can be done by modifying the current frame after the integration has been performed

  • Velocity rescaling thermostat
  • Andersen thermostat
  • Berendsen thermostat

Using a custom integrator

  • Berendsen barostat
  • Nose-Hoover barostat/thermostat
  • Chains of Nose-Hoover barostat/thermostat
Luthaf pushed a commit that referenced this issue Dec 26, 2014
Add thermosats: VelocityRescale and Berendsen
b1108cc 
ref #7
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