Source code for ase2sprkkr.ase.io

from .. import Potential



[docs]
def read_sprkkr(fd, index=None, **kwargs):
    out = Potential.from_file(fd).atoms
    if index is not None:
        return [ out ][index]
    return


read_SPRKKR = read_sprkkr


[docs]
def write_sprkkr(fd, atoms, **kwargs):
    pot = Potential.from_atoms(atoms[0])
    return pot.save_to_file(fd)


write_SPRKKR = write_sprkkr