Simpatico  v1.10

Synopsis

This analyzer computes the stress autocorrelation function, from which one can calculate the stress relaxation modulus G(t).

See also
McMd::McStressAutoCorrelation

Parameters

The parameter file format is:

McStressAutoCorrelation{
interval int
outputFileName string
capacity int
}

with parameters

interval number of steps between data samples
outputFileName name of output file
capacity number of time separation values computed, number of previous values in history

Output Files

At the end of the simulation, parameters and other data are written to {outputFileName}.prm, the correlation function is written to {outputFileName}.corr.

In the {outputFileName}.corr file, values of the correlation function are output at time separations corresponding to integer multiples of the sampling interval, in order of increasing time delay, starting from t=0 for the first value.