Settings LJ for Tags

[AsifShah]

Dear Admin,

I have an LJ potential curve for an interface with two materials (Tagged as 'L' and 'R'). I want to implement it in QuantumATK but it requires atom by atom interaction.

Is there a way to implement LJ potential for tags?

[Anders Blom]

You still need to have pairwise interaction between atoms to define the potential, but tags can be used to define which atoms interact (so that L and L atoms don't interact).

[AsifShah]

Thanks.