Multiple Pair Style

Dear All,

I want to know how to code multiple pair style in LAMMPS.

I have there types of atom: a,b,c
a-b, a-a, b-b: LJ 2.5
a-c : LJ 2.5+yukawa
c-c : airebo

Best Wishes!

pair_style hybrid can allow the use of multiple pair styles.

You are missing b-c interactions, though.

Ray

Thanks for the hint.

Like the following:?

pseudocode

pair_style hybrid/overlay lj yukawa airebo


pair coeff 1 1*2 lj 2.5
pair coeff 1 3 lj 2.5
pair coeff 1 3 yukawa

No, you still miss 2-3 and 3-3.

Ray

Thanks for the reminder.

I want to make sure the pseudocode can give 1-3 : lj2.5+yukawa.

Best Wishes!

Thanks for the reminder.

I want to make sure the pseudocode can give 1-3 : lj2.5+yukawa.

there is no other way to be *really* certain that setting up a minimal
test system with a small number of atoms and comparing with what you
compute by hand.

what are you going to write later in your paper?

i asked on the LAMMPS mailing list and some person i don't know said it was ok.

that is a certain way to lose your credibility.

axel

Hi, Alex,

You are right, I have to think and do my own.

I am new to MD and LAMMPS, something I am not sure, so I want to double check if I am right.

This is my learning process.

Best Wishes!

Hi, Alex,

You are right, I have to think and do my own.

I am new to MD and LAMMPS, something I am not sure, so I want to double check if I am right.

But you should discuss and compare primarily with your adviser and your colleagues. And also you need to get proper training. A mailing list is not the right place for that.

This is my learning process.

…including to learn how to properly learn something. :wink: