Commit c6b1c77d authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Changed the clustering threshold.

parent 6a121ebe
Pipeline #78762 passed with stages
in 45 minutes and 17 seconds
......@@ -229,7 +229,7 @@ normalize = NomadConfig(
max_2d_single_cell_size=7,
# The distance tolerance between atoms for grouping them into the same
# cluster. Used in detecting system type.
cluster_threshold=3.1,
cluster_threshold=2.5,
# Defines the "bin size" for rounding cell angles for the material hash
angle_rounding=float(10.0), # unit: degree
# The threshold for a system to be considered "flat". Used e.g. when
......
......@@ -248,7 +248,7 @@ class SystemNormalizer(SystemBasedNormalizer):
system_type = config.services.unavailable_value
if len(atoms) <= config.normalize.system_classification_with_clusters_threshold:
try:
classifier = Classifier(cluster_threshold=config.normalize.cluster_threshold)
classifier = Classifier(radii="covalent", cluster_threshold=config.normalize.cluster_threshold)
cls = classifier.classify(atoms)
except Exception as e:
self.logger.error(
......
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