Hello Lammps:
I wrote a potential file by myself (pair_brenner.cpp, pair_brenner.h) and as the explanation in the manual I changed the style_user.h. The CCC.brenner is the parametr file. I used these files to research on the carbon nanotube properties such as bending, tension and torsion. I used the parameters from the paper “Empirical potential for hydrocarbons for use in simulating the chemical vaper deposition of diamond films” by Donald W. Brenner, Physical Review B Volume 42, Number 15, 1990. These parameters are from the page 9462 Table 1. for Carbon.
But when I run the code the ERROR is ERROR on proc 0: Failed to allocate -147397588 bytes for array neigh:binhead. I am sure this error is from my potential file because when I run the same model with tersoff potential there is not error.
I have attached the original code, and could you have a look at them?
Thank you so much!
Jian Yao
CCC.brenner (1.87 KB)
data.cut (14.4 KB)
in.cut (1.08 KB)
pair_brenner.cpp (22.1 KB)
pair_brenner.h (3.08 KB)
style_user.h (1.74 KB)