print values of some variables into a file

LAMMPS LAMMPS Mailing List Mirror
1

Dear all

Do you know if there is a way to print values of some variables that I obtain in a loop in file rather than the log-file/screen? These variables are not thermo variables or results of a computation so I can not use "fix for "print" which requires running MD simulation.

I have something like below inside a look for "k" variable:

print "k {nt} \{nnt\} {avex} \{avey\} {avez}"

Thanks
Sara

2

Dear all

Do you know if there is a way to print values of some variables that I
obtain in a loop in file rather than the log-file/screen? These
variables are not thermo variables or results of a computation so I
can not use "fix for "print" which requires running MD simulation.

I have something like below inside a look for "k" variable:

print "k {nt} \{nnt\} {avex} \{avey\} {avez}"

just use a special marker for your print command to identify it and
then use grep or awk to extract those lines from the log file.

axel.

3

Thanks Axel for this advice.

Quoting Axel Kohlmeyer <[email protected]>:

4

I just added a file/append keyword to print, so it can now write to a
file. It will be released soon. In the meantime I can send anyone who
wants it the modified input.cpp

Aidan