Révision 1297d18b
b/modules/screening.py | ||
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28 | 28 |
# Assign mois |
29 | 29 |
if 'moi' in magns: |
30 | 30 |
for conf in conf_list: |
31 |
conf.info["moi"] = conf.get_moments_of_inertia()[2]
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31 |
conf.info["moi"] = conf.get_moments_of_inertia().sum()
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32 | 32 |
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33 | 33 |
# pick ids |
34 | 34 |
for magn in magns: |
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