Dear all,
In the crack example, author used neigh_modify exclude to break pairwise (non-bonded) interactions (e.g. lj potential)
In my problem, I am going to break bond interactions (e.g FENE)
For example:
Through read_data command I got bond interactions from data file
…
Dear all,
In the crack example, author used neigh_modify exclude to break pairwise (non-bonded) interactions (e.g. lj potential)
In my problem, I am going to break bond interactions (e.g FENE)
For example:
Through read_data command I got bond interactions from data file
...
Bonds
1 1 1 2
2 1 2 3
3 1 3 4
4 1 4 5
5 1 5 6
6 1 6 7
7 1 7 8
8 1 8 9
9 1 9 10
10 1 10 11
...
Now how can I remove bonds 1, 2, 3, 4 ..., so on, e.g
I would appreciate it if anyone can help
I don't understand why you are asking this. If you don't want the
bonds, just don't put them in the data file.
Dear Prof. Axel,
In my case, i create polymer by using chain.f in tools folder of LAMMPS
Now I want to turn off or remove some bonds to create a crack through removed bonds, e.g.
I also cannot use neigh_modify, or delete_bonds command to do that
Thanks,
Ha
Neigh modify exclude is removing pairwise interactions,
not bonds. If the delete_bonds command and fix bond/break
commands won't do what you want, then you need to
create a data file (e.g. via the tools/restart2data program)
and explicitly remove the bonds you want (i.e. by hand).