Dear Lammps Users,
I am simulating many separate sheets. There is a unique input data including these many sheets. Considering that the potential between sheets is different from the potential of particles belong to a same sheet what is the best way for defining separate groups using lammps codes.
Best Regards,
Runak
Hello,
So, the pairwise interactions between atoms is defined in the pair_style command. First you need to check which option in the list (see Pair Styles — LAMMPS documentation) corresponds to the potential form that you have in your classical model (you can use the style hybrid in case you have potentials of different forms dictating the interactions of atoms in your system). Afterwards, the parameters corresponding to the interaction between a pair of atoms are further specified using the pair_coeff command, which identifies the atoms by means of their atom types. You can input different parameters for the interaction between different pairs of atom types.
So basically you need to check within your system a way to differentiate the atoms in “atom types” in a way that allows you to properly implement the different potentials prescribed in your classical model. This is independent of the chemical element of a given atom (I mean, you can have different carbon atoms be of different types in the eyes of LAMMPS).
Is this what you are asking?