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

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

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

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

Steve