espressopp.integrator.CapForce

This class can be used to forcecap all particles or a group of particles. Force capping means that the force vector of a particle is rescaled so that the length of the force vector is <= capforce

Example Usage:

>>> capforce     = espressopp.integrator.CapForce(system, 1000.0)
>>> integrator.addExtension(capForce)

CapForce can also be used to forcecap only a group of particles:

>>> particle_group = [45, 67, 89, 103]
>>> capforce       = espressopp.integrator.CapForce(system, 1000.0, particle_group)
>>> integrator.addExtension(capForce)

espressopp.integrator.CapForce(system, capForce, particleGroup)

Parameters:

• system

• capForce

• particleGroup – (default: None)