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)
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espressopp.integrator.
CapForce
(system, capForce, particleGroup)¶ Parameters: - system –
- capForce –
- particleGroup – (default: None)