Dear Lammps Users,
I am using Lammps for a particular study and need to calculate the total coulombic energy per particle. I am using kspace style as pppm. I have the following questions:
- Does ‘ecoul’ give the short range coulombic energy per particle or the total short range coulombic energy summed over all particles?
- Similarly ‘elong’ gives long range coumbic energy per particle or summed over all particles?
- To get the total coulombic energy is it enough to add ecoul+elong outputs? I believe to get the total coulombic energy per particle I will divide (ecoul+elong) by the total number of particles.
Please clarify my doubts.
Regards,
Indrajit