atom_style sphere with bonds

Dear LAMMPS users,

I would like to simulate a Janus particles as follows: overlap of 2 atoms of different types (1 and 2). However, with only one atom_style sphere (which is necessary for the pair_style colloid, which I want to use) I can’t have any bonds.

I’ve tried to avoid that by assuming the entire entity is a rigid body and to use “fix rigid/small molecule”, which also leads to an error due to that this atom_style does not support molecules.

I’ve tried to use atom_style hybrid bond sphere, but this leads to an error of

ERROR: Incorrect atom format in data file (…/atom.cpp:894)
The same situation concerns the use of atom_style hybrid molecular sphere

What could be the possible solution?

Enclosed please find my input files.


in_equil (2.29 KB)

temperature (56 Bytes)

bondy (57 Bytes)

single.lll (458 Bytes)

Pair style colloid does NOT require atom style sphere.
The radii are per type and set via the pair_coeff command.

When using hybrid atom styles the order of some entries in the data file changes. Please see the documentation for the read_data command for details.

I am sorry for the typo, I wanted to use pair_style yukawa/colloid, which does require atom style sphere (at least it’s what the errors are telling me).

Nevertheless, thank you for telling me that the order of styles is necessary.