Non-Bonded tabulated potentials

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1

Dear colleagues,

I have just a doubt concerning the format for tabulated potentials in LAMMPS.

It is not clear for me if the fourth column is the value of the force (F = -dV/dr) or -F = dV/dt.

Can someone clarify me this point?

Thank you in advance,
Javi

2

From the pair_table doc page:

Make sure that your tabulated forces and tabulated energies are
consistent (dE/dr = -F) along the entire range of r values.

So F = -dE/dr.

Steve