Kan-Ju,
Please see forwarded message below. These two files should help. I will send these in.
Ray
pair_reax_c.cpp (21.9 KB)
fix_reaxc_bonds.cpp (9.1 KB)
Kan-Ju,
Please see forwarded message below. These two files should help. I will send these in.
Ray
pair_reax_c.cpp (21.9 KB)
fix_reaxc_bonds.cpp (9.1 KB)
Hi Ray,
Thanks. It seems to fix the problems. I did search the lammps
mail-list before sending out the email. I couldn't find anything last
week perhaps because of the keywords I used.
Thanks again.
Kan-Ju