[lammps-users] the Vanderwaals problem

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1

Hi all

I found one problem about the command thermo_style .

There is a style custom which has the argument evdwl which is the Vanderwaals pairwise energy. I think this Vanderwaals
energy is from Lennard-Jones potential. But why this evdwl is not zero when the Lennard-Jones potential is not used?

the file in.try

2

The energy for all pair styles is tallied in 2 parts: evdwl and ecoul.
Even for potentials like Tersoff. The total is epair. So it's called
evdwl but it's really Tersoff energy in this case.

Steve