I’m creating bonds in Fe2O3( iron oxide) slabs, but when I use command:
create_bonds many fe fe 6 2.8 2.9
to create bonds between fe atoms,it did’t work.I use ovito to visualize data created,and I found : atom(ID:5133,position: 37.71,50.0417 ,11.73) and atom (ID:5134,position: 37.71,52.9333 ,11.73) don’t have bonds, but they belong to fe and their distance is 2.8916,but no bond found between them, I’m really confused.Any advice will be appreciated.
My file is appended below. iron.data is original fe2o3 data,and fe2o3.data is bonded data created by test.in file. My lammps version is 29SEP2021.
From what I can tell, the
create_bonds command works exactly as documented.
The problem is that you are not taking into account the default special_bonds settings.
Please see the corresponding notes and discussions in the manual for the create_bonds command — LAMMPS documentation
thanks for your reply, I will read manual carefully.
special_bonds lj 0 1 1
can solve this problem