Révision 4387ce69
b/modules/formats.py | ||
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158 | 158 |
symbols = [atom.split()[0] for atom in raw_coords] |
159 | 159 |
positions = np.array([atom.split()[1:] for atom in raw_coords]) |
160 | 160 |
if len(spec_atoms) > 0: |
161 |
add_special_atoms(spec_atoms) # TODO check usage
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add_special_atoms(spec_atoms) |
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162 | 162 |
return Atoms(symbols=symbols, positions=positions) |
163 | 163 |
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164 | 164 |
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Formats disponibles : Unified diff