How can I specify an initial angular velocity to a diatomic molecule

Dear LAMMPS users,

I want to model gas-surface collisions based on molecular beam method. The gas that I am going to study is Hydrogen. Herein, I want to specify an initial translational and rotational velocity to Hydrogen molecule. By going through the LAMMPS forum I found a discussion from 2017 saying that in LAMMPS it is not possible to assign a specific rotational velocity to a molecule. The thing is I found an article published in 2018 that they used LAMMPS for the same type of study and they claimed that they also assigned an initial angular velocity to the molecule.

I would be really thankful if someone could tell me whether this feature has been added to LAMMPS recently. I still could not find anything related to this topic in LAMMPS documentation.

Kind regards,

Shahin Mohammad Nejad

Dear LAMMPS users,

I want to model gas-surface collisions based on molecular beam method. The gas that I am going to study is Hydrogen. Herein, I want to specify an initial translational and rotational velocity to Hydrogen molecule. By going through the LAMMPS forum I found a discussion from 2017 saying that in LAMMPS it is not possible to assign a specific rotational velocity to a molecule. The thing is I found an article published in 2018 that they used LAMMPS for the same type of study and they claimed that they also assigned an initial angular velocity to the molecule.

I would be really thankful if someone could tell me whether this feature has been added to LAMMPS recently. I still could not find anything related to this topic in LAMMPS documentation.

of a symmetric diatomic molecule, it would be rather straightforward to compute what additional velocity components would need to be added to both atoms to achieve a specific angular velocity.

axel.