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fix bug with read
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src/pyscal3/formats/lammps.py

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Original file line numberDiff line numberDiff line change
@@ -166,7 +166,7 @@ def read_snap(infile, compressed = False, customkeys=None, species=None):
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atomspecies = []
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for cc, typ in enumerate(types):
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atomspecies.append(species[int(typ-1)])
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atoms['species'] = atomspecies
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atoms['species'] = atomspecies
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for cc, kk in enumerate(customkeys):
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atoms[kk] = customdict[cc]

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