Chimie Théorique » scripts_chimie4psmn » DockOnSurf

        the label of the custom element and the second one the symbol of the

        reference one (traditional present on the periodic table).

    @return:

    import numpy as np

    from ase import data

    for i, pair in enumerate(symbol_pairs):

    @param spec_atms: List of tuples containing pairs of new/traditional

        chemical symbols.

    @return: an object the required library can work with.

    import ase.io

    from ase.io.formats import filetype