MeanSquaredDisplacement
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class MeanSquaredDisplacement : public feasst::Analyze
Compute the mean squared displacement of the sites over number of trials. Note that this is the traditional approach, not the more efficient order-n approach as described in Frenkel and Smit, Section 4.4.1. New origins are stored every fixed number of updates. Assume the number of particles does not change.
Public Functions
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void initialize(MonteCarlo *mc)
Initialize and precompute before trials.
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void update(const MonteCarlo &mc)
Perform update action.
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std::string write(const MonteCarlo &mc)
Perform write action.
Arguments
updates_per_origin: set the number of updates until creation of a new origin (default: 1000).
group_index: group_index associated with configuration (default: 0).
Stepper arguments.
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void initialize(MonteCarlo *mc)