pyiron.lammps.lammps module

class pyiron.lammps.lammps.Lammps(project, job_name)[source]

Bases: pyiron.lammps.interactive.LammpsInteractive

Class to setup and run and analyze LAMMPS simulations which is a derivative of atomistics.job.generic.GenericJob. The functions in these modules are written in such the function names and attributes are very generic (get_structure(), molecular_dynamics(), version) but the functions are written to handle LAMMPS specific input/output.

  • project (pyiron.project.Project instance) – Specifies the project path among other attributes

  • job_name (str) – Name of the job


Instance which handles the input


lammps.Input instance