Révision 8d2efb97
| b/modules/screening.py | ||
|---|---|---|
| 549 | 549 |
if not collision and not any([np.allclose(slab_molec.positions, |
| 550 | 550 |
conf.positions) |
| 551 | 551 |
for conf in slab_ads_list]): |
| 552 |
slab_molec.info = {**slab_molec.info, **molec.info}
|
|
| 552 | 553 |
slab_ads_list.append(slab_molec) |
| 553 | 554 |
if h_donor is not False: |
| 554 | 555 |
slab_ads_list.extend(dissociation(slab_molec, h_donor, |
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