print only thermodynamic quantities on an external file

With the thermo command, it is possible to print thermodynamic quantities on screen, or on an external file using the > operator.

My problem is that I would like a file with only the thermo quantities, and not all those other lines with infos about neighbor lists. etc.

I would like a file with an header like “Steps TotEng Temp…” and columns with numerical values. Only this, nothing more.

Is it possible to obtain this kind of output? If so, how?

I’ve read the thermo, thermo_style and thermo_modify sections of the manual, but discovered nothing.

Thank you in advance.

With the thermo command, it is possible to print thermodynamic quantities on
screen, or on an external file using the > operator.

My problem is that I would like a file with only the thermo quantities, and
not all those other lines with infos about neighbor lists. etc.

I would like a file with an header like "Steps TotEng Temp...." and columns
with numerical values. Only this, nothing more.

Is it possible to obtain this kind of output? If so, how?

how about using fix print?

axel.

I am reading the documentation for fix_print, but it is not really clear to me what I’m supposed to do. For example, what should I do to obtain a file with two columns, steps and total energy?

Nevermind, solved. If some newbie like me is interested, the command is:

fix print [fix_id] all print [N steps] “(v_step) (v_etotal)” file [file_name]

There is a also a tools/python/log2txt.py script

which will take a LAMMPS log file as input,

strip all the stuff you mentioned and just produce

columns of log data as output.

Steve

Thanks. Is there any way to control the formats of the numbers printed by the fix print command?

On the fix print command page there is nothing about this.

Thanks. Is there any way to control the formats of the numbers printed by
the fix print command?

On the fix print command page there is nothing about this.

because it is in the documentation for the variable command.
fix print outputs strings and variables converted to strings. the
conversion of a variable to a string can be controlled (for equal
style variables).

axel.