Révision 6d1bd296
b/modules/screening.py | ||
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@return: numpy.ndarray of the coordinates of the vector locally |
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perpendicular to the surface. |
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""" |
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from ASANN import coordination_numbers as coord_nums |
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from modules.ASANN import coordination_numbers as coord_nums
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if isinstance(idxs, list): |
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atm_vect = [-np.round(coord_nums(atoms.get_scaled_positions(), |
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pbc=np.any(cell), |
Formats disponibles : Unified diff