Révision 587dca22 modules/screening.py

b/modules/screening.py
170 170
        err = "'idxs' must be either an int or a list"
171 171
        logger.error(err)
172 172
        raise ValueError(err)
173
    return np.round(norm_vec, 2)/np.linalg.norm(np.round(norm_vec, 2))
173
    norm_vec = np.round(norm_vec, 2) / np.linalg.norm(np.round(norm_vec, 2))
174
    logger.info(f"The perpendicular vector to the surface at site '{idxs}' is "
175
                f"{norm_vec}")
176
    return norm_vec
174 177

  
175 178

  
176 179
def add_adsorbate(slab, adsorbate, site_coord, ctr_coord, height, offset=None,

Formats disponibles : Unified diff