Synopsis

This analyzer calculates a radial distribution function. The type of atoms to include are defined by an associated McMd::PairSelector object.

See also: McMd::RDF; McMd::PairSelector

Parameters

The parameter file format is:

RDF{ 
   interval           int
   outputFileName     string
   max                double
   nBin               int
   selector           PairSelector 
}

in which

interval	number of steps between data samples
outputFileName	name of output file
max	maximum separation distance
nBin	number of bins in histogram of radius values
selector	McMd::PairSelector object, selects types of pairs to be included in histogram

Output Files

At the end of a simulation:

Parameters are echoed to {outputFileName}.prm
The accumulated radial distribution function is output to {outputFileName}.dat.

The calculation uses Util::RadialDistribution function.