OutputPressure

Synopsis

This analyzer outputs instantaneous values of scalar pressure to file.

See also

DdMd::OutputPressure

Parameters

The parameter file format is:

OutputPressure{
  interval           int
  outputFileName     string
}

with parameters

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

Output

Values of the kinetic, virial and total pressure are output to {outputFileName}.dat every interval steps. The output format is:

iStep kinetic virial total

where iStep is the MD step index, and kinetic, virial and total refer to kinetic, virial and total pressure.