Hi
Think i have two types of atom suppose ‘1’ and ‘2’, now i am using pair_style lj/cut, i want to calculate the potential due type ‘1’. Can anyone help me how i can calculate this.
Thanks
Chadnan
Hi
Think i have two types of atom suppose '1' and '2', now i am using
pair_style lj/cut, i want to calculate the potential due type '1'. Can
anyone help me how i can calculate this.
how do you define "the potential due to type 1"?
with lj/cut you have a pairwise additive potential,
so you have the contribution from all _pairs_
not individual atoms.
axel.