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[lammps-users] Total Kinetic Energy
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[lammps-users] Total Kinetic Energy


From: "Roberts, Andrew" <A.P.Roberts@...5884...>
Date: Tue, 20 Jun 2017 13:45:54 +0000

Hi,


I need to compute the total kinetic energy for a polydisperse system in a 2D Couette flow as it is being sheared over time in order to determine whether the system has reached steady state conditions. I plan to plot the total kinetic energy versus number of timesteps. Do I simply do this:

sumOver_i [ 0.5(mass_i x velMagnitude_i ^2) ]


Where:

velMagnitude_i = sqrt(vx_i^2 + vy_i^2)


For all particles i?


Or is there a simpler way?


Kind regards,


Andrew