Is it possible to simulate polydisperse prolates with continuously variable aspect ratio in LAMMPS with GB potential ? Can you please give any idea?
The main question is how to assign initial coordinates of aspherical particles with different aspect ratio?
Thanks in advance. Regards.
The pair gayberne potential defines particle properties (like aspect ratio) based on atom type.
So you can’t assign a unique aspect ratio to individual particles. You could approximate that by
using a large number of types.
To do per-particle aspect ratios, you would need an altered version of pair gayberne which did its
competitions based on per-particle values, rather than per-type values. And you would need a new atom style
which added storage for those properties on a per-particle basis. That would also allow you to read
in those per-particle properties from a data file.