dear all
I want calculate angle between atoms in metallic system.
For this reason i changed atom style to hybrid(atomic angle) and define
angle_style for this but i have problem in difintion typs of angle.
In lammps'example type distention for any atoms. Butt i have so many atoms and i
can't do it.
Do somebody have any idea?
Best regards
hamed
I know of no metallic system that uses a potential
with pre-defined angles, e.g. harmonic spring forces
with an angle_style in LAMMPS.
If all you want to do is simulate a metallic
system with a metal potential (such as EAM), and
periodically get an angular distribution, then
I would post-process that from a dump file snapshot.
Or you could look at compute cna/atom or compute centro/atom
which look at neighbors of each atom and compute things
like angles to determine a local definition of structure.
Steve