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In the AiiDAlab QE XAS calculaiton, I got this error:
/opt/conda/lib/python3.9/site-packages/aiida_quantumespresso/workflows/xspectra/crystal.py in validate_inputs(inputs, _) 443 444 if 'symmetry_data' in inputs: --> 445 spacegroup_number = inputs['symmetry_data']['spacegroup_number'].value 446 equivalent_sites_data = inputs['symmetry_data']['equivalent_sites_data'].get_dict() 447 if spacegroup_number <= 0 or spacegroup_number >= 231: KeyError: 'spacegroup_number'
The reason is that in the AiiDAlab QE workflow, it assigns the XAS builder to the main app builder by:
setattr(builder, name, xas_plugin_builder)
in the xas_plugin_builder, the namespace symmetry_data could be empty, result in the error.
symmetry_data
I think this is a common error source that the plugin's logic depend on whether a input exist or not, but not check if it is empty.
The text was updated successfully, but these errors were encountered:
superstar54
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In the AiiDAlab QE XAS calculaiton, I got this error:
The reason is that in the AiiDAlab QE workflow, it assigns the XAS builder to the main app builder by:
in the xas_plugin_builder, the namespace
symmetry_data
could be empty, result in the error.I think this is a common error source that the plugin's logic depend on whether a input exist or not, but not check if it is empty.
The text was updated successfully, but these errors were encountered: