[lammps-users] about pizza.py

Aidan Thompson wrote the Pizza.py tool "cfg" that creates AtomEye
input files from LAMMPS dump files. I think he might have
a version that appends extra columns of dump info. You can send
him an email ... athomps at sandia.gov

Aidan - if this is so, we should probably release it in Pizza.py.


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It is possible to add extra columns. The atomeye file must be written in
extended format, with some extra stuff in the header. I have written scripts
that do this for specific dump files, but it's not general. If you are
willing to rerun the MD simulations, I recommend using dump style cfg to
directly generate the AtomEye files.



I think what I was remembering was the enhancement to the dump cfg
command in LAMMPS, not to the cfg tool in Pizza.py. So Aidan is
correct - you should just generate them directly from LAMMPS.