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import numpy as np
def write_py(fileobj, images):
"""Write to ASE-compatible python script."""
fileobj.write('from ase import Atoms\n\n')
fileobj.write('import numpy as np\n\n')
if hasattr(images, 'get_positions'):
images = [images]
fileobj.write('images = [\n')
for image in images:
fileobj.write(" Atoms(symbols='%s',\n"
" pbc=np.%s,\n"
" cell=np.array(\n %s,\n"
" positions=np.array(\n %s),\n" % (
image.get_chemical_formula(mode='reduce'),
repr(image.pbc),
repr(np.asarray(image.cell))[6:],
repr(image.positions)[6:]))
fileobj.write(']')
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