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# Source code for ase.io.py

    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(']')

Documentation v: 3.19.0

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  3.20.0b1 (development)
  3.19.0 (latest stable)