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

espressopp.integrator.LangevinThermostatOnRadius(system, dampingmass)

Parameters:

• system

• _dampingmass

espressopp.integrator.LangevinThermostatOnRadius.addExclusions(pidlist)

Parameters:

pidlist (list of ints) – list of particle ids to be excluded from thermostating.