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loulijat_hamid · June 12, 2018, 9:27am

Dear all

We have system containing N Cu of Copper and N Fe of iron, i want to calculate the kinetic energy and potential energy of each atom of copper and iron at a time t of simulation.

Thanks and Regards

akohlmey · June 12, 2018, 9:37am

Dear all

We have system containing N Cu of Copper and N Fe of iron, i want to calculate the kinetic energy and potential energy of each atom of copper and iron at a time t of simulation.

http://lammps.sandia.gov/doc/Section_commands.html#compute-styles

sjplimp · June 13, 2018, 2:37pm

Specifically there are pe/atom and ke/atom computes.

Steve