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Minor bug in AIMReorWorkchain
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kmlefran committed Jun 14, 2024
1 parent 9c5649d commit d79e26c
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2 changes: 1 addition & 1 deletion aiida_aimall/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,4 +4,4 @@
A plugin to interface AIMAll with AiiDA
"""

__version__ = "0.7.2"
__version__ = "0.7.3"
2 changes: 1 addition & 1 deletion aiida_aimall/workchains.py
Original file line number Diff line number Diff line change
Expand Up @@ -666,7 +666,7 @@ def dict_to_struct_reor(self):
struct_str = dict_to_structure(self.ctx.rot_struct_dict)
struct_str.store()
if "reor_group" in self.inputs:
reor_struct_group = load_group(self.inputs.reor_group)
reor_struct_group = load_group(self.inputs.reor_group.value)
reor_struct_group.add_nodes(struct_str)
if "frag_label" in self.inputs:
struct_extras = EntityExtras(struct_str)
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