Dear LAMMPS users,
Recently,I meet a question about ‘compute vacf’ command.
According to LAMMPS’s Manual, this command will calculate VACF like Vx(0)*Vx(t). The initial velocity means the atom’s velocity at the time the compute was specified. But I also want to calculate VACF like Vx(t0)*Vx(t0+t) just like the cmmand ‘fix ave/correlate’ done, I think it’s more efficient. But the ‘value’ parameter in ‘fix ave/correlate’ can only be scalar but not vector.
Can anybody give me some help?
Dear LAMMPS users,
Recently,I meet a question about 'compute vacf' command.
According to LAMMPS's Manual, this command will calculate VACF like Vx(0)*Vx(t). The initial velocity means the atom's velocity at the time the compute was specified. But I also want to calculate VACF like Vx(t0)*Vx(t0+t) just like the cmmand 'fix ave/correlate' done, I think it's more efficient. But the 'value' parameter in 'fix ave/correlate' can only be scalar but not vector.
Can anybody give me some help?
how about looking at the documentation? there is an example given in
the compute vacf manual.
axel.