Source code for pylada.crystal.bravais
###############################
# This file is part of PyLaDa.
#
# Copyright (C) 2013 National Renewable Energy Lab
#
# PyLaDa is a high throughput computational platform for Physics. It aims to make it easier to submit
# large numbers of jobs on supercomputers. It provides a python interface to physical input, such as
# crystal structures, as well as to a number of DFT (VASP, CRYSTAL) and atomic potential programs. It
# is able to organise and launch computational jobs on PBS and SLURM.
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""" Defines Bravais Lattices. """
__docformat__ = "restructuredtext en"
__all__ = ['bcc', 'fcc']
[docs]def bcc():
""" Creates a BCC lattice with a single site. """
from pylada.crystal import Structure
return Structure( -0.5, 0.5, 0.5,\
0.5, -0.5, 0.5,\
0.5, 0.5, -0.5,\
scale=1, name='bcc' )\
.add_atom(0, 0, 0, 'A')
[docs]def fcc():
""" Creates an FCC lattice with a single site. """
from pylada.crystal import Structure
return Structure( 0, 0.5, 0.5,\
0.5, 0, 0.5,\
0.5, 0.5, 0,\
scale=1, name='fcc' )\
.add_atom(0, 0, 0, 'A')