What is meant by atom types?

LAMMPS LAMMPS Mailing List Mirror
1

Dear Users
I have read the documentation but couldn’t able to find what actually meant by atom types . Kindly please tell me its significance too.

Thanks,

2

Dear Users
    I have read the documentation but couldn't able to find what actually
meant by atom types . Kindly please tell me its significance too.

the lammps documentation explains how to use lammps,
not how MD works at all. please read up on that in one of
the text books about MD and/or molecular modeling. there
should be chapters on force field construction and how they
are implemented in typical MD codes (like lammps).

thanks,
     axel.

3

An atom type is just a flag on an atom (from 1 to Ntypes)
that signifies to LAMMPS how to assign pair style coefficients
as well as other values such as mass.

Hence you can do an alloy simulation of Cu and Ni by
having type 1 atoms be Cu and type 2 be Ni.

Steve