[lammps-users] How to use compute rdf command

Hi, everyone

In the old version of LAMMPS, rdf can be obtained by

fix 1 all rdf 1 out.rdf 300 1 1
run 0 post no

However, in the new version since 15 Jan 2010, the command has been replaced by “compute rdf” command, like

compute out all rdf 500

can anyone tell me how I can output vector c_out to file out.rdf ?


Use it with fix ave/time, which can write to a file. The 4.15
section of the howto pages of the manual, give lots
of details/suggestions on how computes work and how to
use their output in various ways.