Synopsis

This analyzer periodically outputs the total energy and its components during a simulation.

See also: DdMd::OutputEnergy

Parameters

The parameter file format is:

OutputEnergy{
  interval           int
  outputFileName     string
}

with parameters

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

Output

Energies are periodically output to file {outputFileName}.dat. Each line in this file represents a set of instantaneous values of different contributions to the total (extensive) energy for the system. The format of each line for a simulation in which all potential energy types are used, is:

kinetic pair [bond] [angle] [dihedral] [external] total

The bond, angle, dihedral, and external energies are each output only if they are used in a simulation, and are absent otherwise.