Dear Dr. Steve Plimpton and LAMMPS users,
I am a beginner for LAMMPS, and have several problems ask you for some advices.
In the user manual, Force fields….pairwise potentials: Lennard-Jones,
Buckingham, ……tabulated. Does the ‘tabulated’ mean that one can use, taking
spherical symmetrical atomic potentials as example, tabular presentation format
for the potential function, i.e. the data set like u® versus r is given, with
a very small step like 0.01?
In addition, if I want to study on an atomic fluid with a new analytical
potential function different from the usual force fields used in the LAMMPS, how
do I?
Thank you very much!
Best wishes,
Yang
yes, that is what tabulated means - the doc page for
pair_style table explains it. That is the simplest way
to experiment with a new potential, assuming it
is sphercally symmetric (just depends on r). If
not, you'll have to code it, if you want LAMMPS to
compute it. Fairly easy to do - that's how lots
of the pair styles in LAMMPS came about.
Steve
2011/2/15 bingcyang <[email protected]...>: