pyiron.sphinx.sphinx module

class pyiron.sphinx.sphinx.Sphinx(project, job_name)

Bases: pyiron.sphinx.interactive.SphinxInteractive

Class to setup and run Sphinx simulations which is a derivative of pyiron_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 Sphinx specific input and output.

Parameters

• project – Project object (defines path where job will be created and stored)

• job_name (str) – name of the job (must be unique within this project path)