[lammps-users] python tool

Dear Steve,
I have a quick question regarding logplot.py in python tool. Is it somehome possible to plot the thermo output using xmgrace instead of gnuplot using the logplot.py? I know I may have to write some code or modify some file. But I will appreciate any suggestions where I should look into. The reason being grace is much for flexible then gnuplot.

One other modification. In the README file of python tool directory, the enviroment variable LAMMPS_TOOLS_PYTHON is different than the one which is in logplot.py and other scripts ( LAMMPS_PYTHON_TOOLS). Please update it as it may confuse some of the users.

Thanks.
Vikas

HI Vikas,

Dear Steve,
I have a quick question regarding logplot.py in python tool. Is it somehome
possible to plot the thermo output using xmgrace instead of gnuplot using
the logplot.py? I know I may have to write some code or modify some file.
But I will appreciate any suggestions where I should look into. The reason
being grace is much for flexible then gnuplot.

In logplot.py is this line:

g = gnu()

which uses the module gnu.py (in the lower level dir).

That line could be changed to g = xmgrace(), but only
if there was a xmgrace.py that was a wrapper around XMGRACE
(like gnu.py is a wrapper around GnuPlot). Ideally the wrapper
would support the same interface that GnuPlot and MatLab does
within Pizza.py. I.e. those 2 packages can be used interchangeably
b/c the interface is the same.

So someone needs to write xmgrace.py with the desired interface.

One other modification. In the README file of python tool directory, the
enviroment variable LAMMPS_TOOLS_PYTHON is different than the one which is
in logplot.py and other scripts ( LAMMPS_PYTHON_TOOLS). Please update it as
it may confuse some of the users.

Made the change -thanks