espressopp.integrator.LangevinThermostatOnRadius¶
Langevin Thermostat for Radii of Particles
Example:
>>> radius_mass = mass
>>> # set virtual mass for dynamics of radius
>>> langevin = espressopp.integrator.LangevinThermostatOnRadius(system, radius_mass)
>>> # set up the thermostat
>>> langevin.gamma = gamma
>>> # set friction coefficient gamma
>>> langevin.temperature = temp
>>> # set temperature
>>> integrator.addExtension(langevin)
>>> # add extensions to a previously defined integrator
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espressopp.integrator.
LangevinThermostatOnRadius
(system, dampingmass)¶ Parameters: - system –
- _dampingmass –
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espressopp.integrator.LangevinThermostatOnRadius.
addExclusions
(pidlist)¶ Parameters: pidlist (list of ints) – list of particle ids to be excluded from thermostating.