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The Statistics File

The last output file generated by OOPSE is the statistics file. This file records such statistical quantities as the instantaneous temperature (in $ K$ ), volume (in Å$ ^{3}$ ), 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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Updated on January 16, 2006