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