Simpatico  v1.10

Synopsis

This analyzer outputs instantaneous values of the kinetic temperature to file. The kinetic temperature is 2*K/3N, where K is total kinetic energy and N is total number of atoms.

See also
DdMd::OutputTemperature

Parameters

The parameter file format is:

OutputTemperature{
interval int
outputFileName string
}

with parameters

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

Output

A values of the kinetic temperature is output to {outputFileName}.dat every interval time steps. The output format for each line is:

iStep temperature

where iStep is the MD step index.