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Fix soap section creation
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ladinesa committed Jan 25, 2024
1 parent 871e128 commit bf413d1
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion soapnormalizer/normalizer.py
Original file line number Diff line number Diff line change
Expand Up @@ -51,7 +51,9 @@ def normalize_system(self, system, is_representative):
"descriptors"
].sub_section.section_cls()

soap = system.descriptors.m_def.all_sub_sections["soap"].sub_section.section_cls
soap = system.descriptors.m_def.all_sub_sections[
"soap"
].sub_section.section_cls()
atoms = system.atoms.to_ase(raise_exp=True)
if atoms is None:
return False
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