Source code for pyiron.sphinx.sphinx

# coding: utf-8
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
# Distributed under the terms of "New BSD License", see the LICENSE file.

import warnings
from pyiron.sphinx.interactive import SphinxInteractive

__author__ = "Osamu Waseda, Jan Janssen"
__copyright__ = (
    "Copyright 2020, Max-Planck-Institut für Eisenforschung GmbH - "
    "Computational Materials Design (CM) Department"
__version__ = "1.0"
__maintainer__ = "Jan Janssen"
__email__ = ""
__status__ = "development"
__date__ = "Sep 1, 2017"

[docs]class Sphinx(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. Args: 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) """ def __init__(self, project, job_name): super(Sphinx, self).__init__(project, job_name) self.__name__ = "Sphinx" self.__version__ = ( None ) # Reset the version number to the executable is set automatically self._executable_activate(enforce=True)