Fix test

nomad-coe · Aug 15, 2024 · 11746a3 · 11746a3
1 parent d53537b
commit 11746a3
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/soapnormalizer/normalizer.py b/soapnormalizer/normalizer.py
@@ -63,6 +63,7 @@ def normalize_system(self, archive: EntryArchive, system, is_representative):
         soap.r_cut = np.float64(params['soap cutoff'])
         soap.atom_sigma = np.float64(params['atom_sigma'])
 
+        system.descriptors.soap = soap
         if not descriptors:
             # self.logger.warning('SOAP normalizer runs, but quippy is not installed.')
             return False