Dear LAMMPS Users and Developers,
I have a question about the usage of the compute vacf. According to the
documentation " Each atom’s contribution to the VACF is its current
velocity vector dotted into its initial velocity vector at the time the
compute was specified". As I know I need to output data for a short period
of times to have correlated velocities. For example in a 100,000 time step
simulation if I want to output them every 1000 time steps, how can I make
LAMMPS to restart the compute time, for example after time 1000, the
compute should consider 1001 as t(0) and start to calculate the VACF again.
I really appreciate you help in this regards.
Best,
Banan