fix ave/time output into separate files

LAMMPS LAMMPS Mailing List Mirror
1

Hi,

I am using fix ave/time to store the radial distribution function at different simulation timesteps as follows:

compute myRDF all rdf 1000

fix 4 all ave/time 1000 1 1000 c_myRDF file tmp.rdf mode vector

Unfortunately the output arrays are stored in a one file one after another. In case of many updates during the simulation the file is becoming quite difficult to read without any post processing of the file. Is there any way to divide the output of ave/time into separate files similarly as it is done using dump command, by defining the file name as, e.g. tmp*.rdf?

All the best,

Bartosz

2

You could always “split” the file
http://www.computerhope.com/unix/usplit.htm and others

Nigel

3

Of course it is an option, but it is also one more post-processing step. I know Lammps itself is quite powerful in sense of post-processing so maybe I will try to modify ave/time a bit if no other Lammps command can do it.

Bartosz