Is it possible to mix DeepMD potential with classical potentials (e.g., Tersoff) in LAMMPS? #5037
Unanswered
Ceciliaviar
asked this question in
Q&A
Replies: 1 comment
-
|
I don't find where this error comes from, but at least, according to the LAMMPS documentation, your command is incorrect.
|
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment

Uh oh!
There was an error while loading. Please reload this page.
Uh oh!
There was an error while loading. Please reload this page.
-
Hi developers,
I am trying to run a mixed-potential LAMMPS simulation that combines a DeepMD potential and a classical potential (Tersoff).
Here is the simplified part of my in.lammps file:
pair_style hybrid deepmd graph.pb tersoff
pair_coeff * * deepmd graph.pb Si C
pair_coeff * * tersoff SiC.tersoff Si C
However, LAMMPS returns
ERROR: Pair style deepmd hybrid not compatible with pair hybrid (src/pair_deepmd.cpp:123)_
So, I’d like to confirm:_
Thanks a lot for your guidance and for developing such a great tool!
Best,
Yuxin Song
Tianjin University, China
Beta Was this translation helpful? Give feedback.
All reactions