Dear Lammps users,
I am wondering if help me know whether there is any easiest way to put atom type in pair_coeff of eam/alloy potential.
For example consider a system which has around 400 atom types (there is a nanostructured system with 200 grains which in every grain we have two kind of atoms Cu & Zr but for data file we consider 400 atom types as an input) then odd numbers belong to “Cu” and even numbers belong to “Zr” atoms. Therefore i think for “pair_coeff” we should have Cu Zr Cu Zr Cu Zr … for 400 times, is there any way to put them easier instead of repeating them?
Thank you for your help,
Sara
Dear Lammps users,
I am wondering if help me know whether there is any easiest way to put atom
type in pair_coeff of eam/alloy potential.
For example consider a system which has around 400 atom types (there is a
nanostructured system with 200 grains which in every grain we have two kind
of atoms Cu & Zr but for data file we consider 400 atom types as an input)
then odd numbers belong to "Cu" and even numbers belong to "Zr" atoms.
Therefore i think for "pair_coeff" we should have Cu Zr Cu Zr Cu Zr ... for
400 times, is there any way to put them easier instead of repeating them?
why do you need to make those different atom
types and not just two? you *do* have just two
types of atoms after all.
axel