Hello,
I am interested in knowing if lammps has a command that would allow one to print thermo data to a file other than the log file. For instance, during a run save the output from a command such as
thermo 1
thermo_style custom step temp press …
This is simply for post-processing purposes. It is easier to post-process thermo data if one can create separate files for different stages of a simulation rather than having to fish the data out the log file.
Thanks for any helpful comments.
Hello,
I am interested in knowing if lammps has a command that would allow one to
print thermo data to a file other than the log file. For instance, during a
run save the output from a command such as
thermo 1
thermo_style custom step temp press ...
This is simply for post-processing purposes. It is easier to post-process
thermo data if one can create separate files for different stages of a
simulation rather than having to fish the data out the log file.
there is a simple trick that can make post processing log files *much*
simpler: just put a comment with a suitable marker ( #step1-start) on
the line before the run command and it is trivial to identify the
individual sections.
other than that, you can use fix print to output data, but that
requires to define variables for thermo data.
axel.
There is a log command you can invoke in your input script
as often as you wish, to change the name of the log file (from that
point forward). So it’s easy to have one log file per run.
Also, the tools/python/log2txt tool can pull thermo info
out of a multi-run log file (or multiple files if you concat them
into one).
Steve