espressopp.analysis.CMVelocity¶
Compute and reset (set to zero) the center-of-mass (CM) velocity of the system.
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class
espressopp.analysis.
CMVelocity
(system)¶ Parameters: system (espressopp.System) – system object Note
CMVelocity
can be attached to the integrator. In this case thereset()
method is called, so you will reset the CM-velocity every n-th steps.Methods
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reset
()¶ Reset (set to zero) the CM-velocity of the system. Done by computing the CM-velocity of the system and subtracting it then from every particle.
Return type: void
Example of resetting velocity
>>> total_velocity = espressopp.analysis.CMVelocity(system) >>> total_velocity.reset()
Example of attaching to integrator
>>> # This extension can be attached to integrator >>> # and run `reset()` every `n-th` steps. >>> total_velocity = espressopp.analysis.CMVelocity(system) >>> ext_remove_com = espressopp.integrator.ExtAnalyze(total_velocity, 10) >>> integrator.addExtension(ext_remove_com)
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