[lammps-users] Molecular Frequency of Atoms

LAMMPS LAMMPS Mailing List Mirror
1


Hi Steve,

Please, can you calculate the vibrating frequency of atoms using LAMMPS?

Cheers.

Jide
|

2

You can dump the velocities of atoms (dump custom)
and post-process whatever you like. If you can specify
what function computes this quantity, then it might be
possible to do with a LAMMPS variable or a new fix/compute.

Steve