Dear Users,
I am doing a fracture simulation (tensile tests on CNTs) so I altered the initial cutoff of the AIREBO potential to avoid the known issue with high fracture strains.
I changed rcmin_cc from 1.7 to 1.995A in the .CH file. (I left rcmax_cc at 2A)
However, I now get strange results - they were fine before that.
Help much appreciated,
Thanks guys
Daniel