What does it mean to treat one atom with a different potential?
AIREBO (and other pair potentials) involve pairwise or many-body
interactions. So you need multiple atoms if you expect AIREBO
to compute an AIREBO interaction between them.
Steve
What does it mean to treat one atom with a different potential?
AIREBO (and other pair potentials) involve pairwise or many-body
interactions. So you need multiple atoms if you expect AIREBO
to compute an AIREBO interaction between them.
Steve