Erms: Difference between revisions
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Synopsis: erms = ''real'' | Synopsis: erms = ''real'' | ||
Revision as of 19:12, 28 January 2009
erms
Synopsis: erms = real
Real function that returns the standard deviation of the total energy, averaged over all timesteps of the most recently executed md command. The total energy is given by the sum of the potential energy (target function) and the kinetic energy.