Source code for pyiron.atomistics.structure.pyironase

# 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 sys

try:
    from ase.atoms import Atoms as ASEAtoms
except ImportError:
    pass

__author__ = "Joerg Neugebauer"
__copyright__ = (
    "Copyright 2020, Max-Planck-Institut für Eisenforschung GmbH - "
    "Computational Materials Design (CM) Department"
)
__version__ = "1.0"
__maintainer__ = "Jan Janssen"
__email__ = "janssen@mpie.de"
__status__ = "production"
__date__ = "Sep 1, 2017"


[docs]def publication(): return { "ase": { "ase-paper": { "author": [ "Ask Hjorth Larsen", "Jens Jørgen Mortensen", "Jakob Blomqvist", "Ivano E Castelli", "Rune Christensen", "Marcin Dułak", "Jesper Friis", "Michael N Groves", "Bjørk Hammer", "Cory Hargus", "Eric D Hermes", "Paul C Jennings", "Peter Bjerre Jensen", "James Kermode", "John R Kitchin", "Esben Leonhard Kolsbjerg", "Joseph Kubal", "Kristen Kaasbjerg", "Steen Lysgaard", "Jón Bergmann Maronsson", "Tristan Maxson", "Thomas Olsen", "Lars Pastewka", "Andrew Peterson", "Carsten Rostgaard", "Jakob Schiøtz", "Ole Schütt", "Mikkel Strange", "Kristian S Thygesen", "Tejs Vegge", "Lasse Vilhelmsen", "Michael Walter", "Zhenhua Zeng", "Karsten W Jacobsen", ], "title": "The atomic simulation environment—a Python library for working with atoms", "journal": "Journal of Physics: Condensed Matter", "volume": "29", "number": "27", "pages": "273002", "url": "http://stacks.iop.org/0953-8984/29/i=27/a=273002", "year": "2017", } } }