Data Processor which calculates the bias in the incoming data based on the true value of the free energy calculated from the
Calculates upper or lower bound of the incoming data based on the standard deviation obtained from the accumulator.
Calculates dy/dlnx vs.
Data Processor whose sole purpose in life is to discard the incoming data and push on the standard deviation from the accumulator.
MCMove which moves all atoms.
Computes the free-enery difference through free-energy perturbation.
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MC version of multi-harmonic simulation.