Synopsis

This analyzer periodically outputs the lengths and volume of the simulation unit cell, for use with constant pressure simulations.

See also: DdMd::OutputBoxdim

Parameters

The parameter file format is:

OutputBoxdim{
  interval           int
  outputFileName     string
}

with parameters

interval	number of steps between data samples
outputFileName	name of output file

Output

The dimensions of the box are periodically output to file {outputFileName}.dat. Each line in this file represents a set of instantaneous values. The format of each line is:

iStep L[0] L[1] L[2] V

where the vector L is the value returned by Util::Boundary::lengths() and V is the volume, as returned by Util::Boundary::volume().