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General Questions and Answers / Re: What is the current option for the previous "Analysis from File"?

« on: August 27, 2024, 14:23 »

Hello,

I'm currently using the latest version of QuantumATK and I'm trying to use previous calculations as a starting point. I've followed the instructions provided, but when I added the "Load from file" block and selected my results file from the previous DFTB calculations, I encountered an error that said:

Traceback (most recent call last):
  File "zipdir/NL/GUI/Workflow/Editors/Algorithm/LoadBlockEditor.py", line 135, in _onLoadClicked
  File "zipdir/NL/GUI/Workflow/Blocks/Algorithm/LoadBlock.py", line 180, in updateFromObject
  File "zipdir/NL/GUI/Workflow/ContextDefinitions/ConfigurationDefinitionStore.py", line 191, in fromDefinition
  File "zipdir/NL/GUI/Workflow/ContextDefinitions/ConfigurationDefinitionStore.py", line 595, in storeFromCalculatorDefinition
  File "zipdir/NL/GUI/Workflow/ContextDefinitions/SemiEmpiricalCalculatorDefinitionStore.py", line 63, in fromDefinition
  File "zipdir/NL/GUI/Store/Store.py", line 269, in __init__
  File "zipdir/NL/GUI/Store/Store.py", line 308, in update
  File "zipdir/NL/GUI/Store/Store.py", line 617, in _set
  File "zipdir/NL/GUI/Store/Fields.py", line 1715, in validate
NL.ComputerScienceUtilities.Exceptions.NLValueError: The spin_type field must be one of [None, <class 'NL.ComputerScienceUtilities.NLFlag._NLFlag.Unpolarized'>, <class 'NL.ComputerScienceUtilities.NLFlag._NLFlag.SpinOrbit'>], was <class 'NL.ComputerScienceUtilities.NLFlag._NLFlag.Polarized'>.

I was unable to load my file, so I can't perform any further calculations. Do you have a solution to this issue?

Thank you in advance