[lammps-users] Question about the potential

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1

Dear LAMMPS users,

For my purpose, now I want to a potential with the form

v= -A/r^6 + B/r^12

It is pretty close to the Lennard-Jones potential in LAMMPS, which using sigma representing the numerators of the two terms. But I want two different coefficients for the numerators. So I am wondering whether there is any other way to realize it other than modifying the source code.

Most appreciate your kind help.

Best
Yajie

2

Dear LAMMPS users,

For my purpose, now I want to a potential with the form

v= -A/r^6 + B/r^12

It is pretty close to the Lennard-Jones potential in LAMMPS, which using
sigma representing the numerators of the two terms. But I want two different
coefficients for the numerators. So I am wondering whether there is any
other way to realize it other than modifying the source code.

you can have any shape potential if you tabulate it.
check out:

http://lammps.sandia.gov/doc/pair_table.html

axel.