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mjohnson541 committed Aug 26, 2024
1 parent c3f0632 commit dee6791
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions pysidt/regularization.py
Original file line number Diff line number Diff line change
Expand Up @@ -48,7 +48,7 @@ def simple_regularization(node, Rx, Rbonds, Run, Rsite, Rmorph, test=True):
for i, key in enumerate(keys):
initial_map[key] = atmlist[i]
if child.group.is_mapping_valid(node.group, initial_map, equivalent=False):
isos = child.group.find_subgraph_isomorphism(node.group, initial_map, save_order=True)
isos = child.group.find_subgraph_isomorphisms(node.group, initial_map, save_order=True)
def isomorph_sort_key(d):
v = 0
for k,v in d.items():
Expand All @@ -59,7 +59,7 @@ def isomorph_sort_key(d):
else:
raise ValueError(f"Could not find valid mapping between parent {node.name} and child {child.name}")
else:
isos = child.group.find_subgraph_isomorphism(node.group, initial_map, save_order=True)
isos = child.group.find_subgraph_isomorphisms(node.group, initial_map, save_order=True)
def isomorph_sort_key(d):
v = 0
for k,v in d.items():
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