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Re: [lammps-users] Accessing etotal compute
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Re: [lammps-users] Accessing etotal compute

From: sanat tiwari <sanatkrtiwari86@...24...>
Date: Sun, 2 Jul 2017 12:54:22 -0500

Hi Ankur,

I think you can use two different computes for "ke" and "pe" and then if you sum them, you should get the total energy. You can match it with "etotal" output in the  output logfile.

compute ake all ke
compute ape all pe

variable equal c_ake+c_ape


Sanat Kumar Tiwari
Department of Physics and Astronomy
University of Iowa