|From:||Ray Shan <rshan@...1795...>|
|Date:||Thu, 17 Aug 2017 18:26:09 +0000|
The potential by Leven et al is a pure two-body potential that only depends on pairwise interactions. It might be much easier for you to start from the lj/cut pair_style. You just need to change the repulsive and attractive terms. There is no need to start from the 4-body, over-complicated AIREBO potential for this implementation.
On 8/17/17, 3:43 AM, "Huang" <nongyanhuang@...223...> wrote: