Hi,
I am using AIREBO potential to simulate graphene tensile test by displacement loading and want to trace the tension.
The graphene is divided into three groups: ‘left’, ‘mobile’ and ‘right’. The atoms of ‘left’ and ‘right’ is moved to realize displacement loading by the commond fix setforce 0.0 and displace_atoms.
I tried to use compute group/group to calculate the force interaction between ‘mobile’ and other one as tension. However, the pair style AIREBO does not support compute group/group.
I would like to know if it is possible to calculate the force interaction in AIREBO potential and how to accomplish this?
Thank you very much for your answer.
Wenpeng Zhu
2010-01-06