Thank you for your prompt reply!
- I apologize for the clerical error in my previous message; I intended to refer to the “variable omega() function” command.
- I understand that LAMMPS provides two commands for calculating angular velocity: the variable omega() command and the compute omega/chunk command. However, I would like to clarify whether the angular velocity computed by LAMMPS accurately represents the true angular velocity of the overall rotation of a non-rigid system. Specifically, I am curious whether the developers of LAMMPS took into account that the angular velocity calculated as Lz/Iz may not reflect the overall rotation of the non-rigid body, given that this value also incorporates contributions from the atoms that vibrate or rotate about their equilibrium positions.
- Thank you for your suggestion; however, we are unable to test this issue directly, as there is no method available for measuring the angular velocity of the overall rotation of a non-rigid body. Consequently, this limits our ability to compare experimental results with the calculations generated by LAMMPS.
I came across a similar question posted in the community in 2022, but unfortunately, it was not addressed with sufficient clarity. [Feature Proposal] Fix momentum angular for non-rigid groups of atoms - LAMMPS / LAMMPS Development - Materials Science Community Discourse (matsci.org). As a result, I am uncertain whether the current version of LAMMPS effectively resolves this issue.
Looking forward to your reply! Thank you very much!