pyiron_lammps_example

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pyiron LAMMPS example

Version: v0.02_alpha

Author(s): Han Mai <h.mai@mpie.de>

workflow LAMMPS molecular dynamics
...

Run a lammps calculation in pyiron

Source:
https://github.com/materialdigital/pyiron_lammps_example

README.md

pyiron LAMMPS job

This is an example repository of how you can run a lammps calculation in pyiron.

This introduces users to the python-interface of pyiron and how to access the output of a lammps output, plot some basic quantities, etc.