Gay-Berne fluid

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1

Dear Lammps users,

I wonder whether there is any template for a start file for the Gay-Berne fluid that can be read by the read_data command to start a simulation of this fluid?

Best Regards,

Sten Sarman

2

Dear Lammps users,

I wonder whether there is any template for a start file for the Gay-Berne
fluid that can be read by the read_data command to start a simulation of
this fluid?

​take the input form the ellipse example and add a write_data command
before the run command and you'll have a data file.

axel.​

3

To clarify:

Do you mean a LAMMPS molecule template?
Or something else?

Andrew

(In the second case, no. I have not tested using “atom_style ellipsoid” yet. You would need to include a write(“Data Ellipsoid”) section. However the “.rot()” commands will currently only rotate each particle’s (center) coordinates, not the ellipsoidal axes. Otherwise, my hope is that it will still work, and generate data files which LAMMPS can read. If you want to try and get ellipsoid rotation working, please let me know and I can help. I would love to have an example that uses pair_style gayberne.)