Révision 39df9c43 modules/screening.py

b/modules/screening.py
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    sites = inp_vars['sites']
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    angles = inp_vars['set_angles']
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    num_pts = inp_vars['sample_points_per_angle']
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    norm_vect = inp_vars['surf_norm_vect']
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    inp_norm_vect = inp_vars['surf_norm_vect']
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    min_coll_height = inp_vars['min_coll_height']
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    coll_coeff = inp_vars['collision_threshold']
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    h_donor = inp_vars['h_donor']
......
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        else:
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            molec_nghbs = 0
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        for s, site in enumerate(sites_coords):
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            if norm_vect == 'auto':
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            if inp_norm_vect == 'auto':
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                norm_vect = compute_norm_vect(surf, sites[s],
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                                              inp_vars['pbc_cell'])
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            else:
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                norm_vect = inp_norm_vect
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            for c, ctr in enumerate(molec_ctr_coords):
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                if angles == 'euler':
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                    surf_ads_list.extend(ads_euler(conf, surf, ctr, site,

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