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Re: [lammps-users] Pair style lj
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Re: [lammps-users] Pair style lj

From: Rajesh <creativeidleminds@...24...>
Date: Sun, 1 Oct 2017 21:35:27 +0530

Dear Ray,
I think it is nowhere said explicitly the order of epsilon, sigma etc. One can only guess from the text. 

For all of the lj/cut pair styles, the following coefficients must be defined for each pair of atoms types via the pair_coeff command as in the examples above, or in the data file or restart files read by the read_data or read_restart commands, or by mixing as described below:

epsilon (energy units)
sigma (distance units)
cutoff1 (distance units)
cutoff2 (distance units)

So, I request the doc maintainer to explain it explicitly.

On Sun, Oct 1, 2017 at 9:08 PM, Ray Shan <rshan@...1795...> wrote:
It is all well-documented in the doc page:


On Oct 1, 2017, at 01:05, Rajesh <creativeidleminds@...24...> wrote:

Dear lammps user
There are three coefficients in lj pair style. sigma, epsilon and cutoff. While defining apir_coeff what is their order?

is it? epsilon-sigma-cutoff or sigma-epsilon-cutoff?

Please clarify.
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