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Next: The Empirical Energy Functions
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Contents
The last output file generated by OOPSE is the statistics
file. This file records such statistical quantities as the
instantaneous temperature (in
), volume (in
Å
),
pressure (in
atm
), etc. It is written out with the frequency
specified in the meta-data file with the
statusTime keyword. The file allows the user to observe the
system variables as a function of simulation time while the simulation
is in progress. One useful function the statistics file serves is to
monitor the conserved quantity of a given simulation ensemble,
allowing the user to gauge the stability of the integrator. The
statistics file is denoted with the .stat file extension.
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