Synopsis

Analyzer to output the total pair energy and the sum of squares of the monomeric and molecular pair energy, for use in analysis of thermodynamic perturbation theory.

NOTE: Only partially documented. For now treat, source code as documentation.

Parameters

The parameter file format is:

MdPairEnergyCoefficients{ 
   interval              int
   outputFileName        string
   selector              PairSelector
   maxMoleculeNeighbors  int
}

in which

interval	number of steps between data samples
outputFileName	name of output file
selector	PairSelector object to specify pair type
maxMoleculeNeighbors	number of data samples retained in history

Output Files

To be documented (See output function)