[lammps-users] rdf time-average


It seems that in the new version of lammps, following should be used to calculate and print rdf

compute 49 all rdf 1000 19 13
fix 49 all ave/time 100 1 100 c_49[1] c_49[2] c_49[3] file csp3ome.rdf mode vector

However, i am not sure if this calculates the time-averaged rdf which fix rdf in the old version used to do.

Could you confirm this please? if so, is there other way to do it? Writing a script for time averaging is not a problem as such, but i was just curious if i am missing something.


You can output instantaneous or time-ave rdf depending on what params
you use with fix ave/time, just like for any other quantity you pass
to it. Also
you can just list c_49 as a single arg to fix ave/time if you want.