atom_style sphere with bonds

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1

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.

Sincerely,

in_equil (2.29 KB)

temperature (56 Bytes)

bondy (57 Bytes)

single.lll (458 Bytes)

2

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.
Axel

3

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.

Sincerely,