Simpatico
v1.10
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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.
The parameter file format is:
with parameters
interval | number of steps between data samples |
outputFileName | name of output file |
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.