/
pyironase.py
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/
pyironase.py
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# 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"
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",
}
}
}