Hi all
I am now trying to do a simulation work by using lammps. But the pre-process is a little difficult. So I want to use Pizza.py tool kit to create in.* file. Pizza.py is written in Python, and hard to use. Who can help me with how to create a in.* file by Pizza.py. Thank you very much.
Yang
Pizza.py is used to process *output* from LAMMPS for
the most part, rather than input. As far as I have
seen, it has no tools to create an in.* file.
If you want to write an in.* file, I suggest that you
look at the example in.* files with LAMMPS and edit a
copy of one of them, preferably one that does
something close to what you want to do.
The chain tool in Pizza.py will create data files for LAMMPS. Type
? chain within Pizza.py or see the examples/test_chain.py file. Other
tools process LAMMPS output. See the lammps/tools dir and doc
page for other pre-processing tools.
Steve