Fixed group commit

kmlefran · Jan 30, 2024 · 01164f2 · 01164f2
1 parent 594f988
commit 01164f2
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/aiida_aimall/__init__.py b/aiida_aimall/__init__.py
@@ -4,4 +4,4 @@
 A plugin to interface AIMAll with AiiDA
 """
 
-__version__ = "0.5.8"
+__version__ = "0.5.9"
diff --git a/aiida_aimall/workchains.py b/aiida_aimall/workchains.py
@@ -227,7 +227,7 @@ def generate_cml_fragments(params, cml_Dict, n_procs, prev_smi):
     g.store()
     node_frame = PDData(out_frame)
     node_frame.store()
-    g.add_nodes()
+    g.add_nodes(node_frame)
     out_dict["cgis_frame"] = node_frame
     out_dict["done_smi"] = List(done_smi)
     return out_dict