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The global attribute 'DislocationAnalysis.length.1/2<110>' is printed in GUI but not in Ovitos

Hello,

I'm working in ovitos the latest version in Linux. While doing DXA analysis. I'm getting an error:

RuntimeError: The global attribute 'DislocationAnalysis.length.1/2<110>' to be exported is not available at animation frame 0.

But when I use GUI procedure it can produce results in export Table of values and mentioning "0" when there is no 'DislocationAnalysis.length.1/2<110>' or 1/6<112>'

I'm attaching here my .py file and dump file for ref.

Please help

Thank you for your time.

 

Regards.

Prashant

Uploaded files:

Hello Prashant,

I had a look at your files, and it seems to me that you chose the wrong "input crystal type" parameter for the Dislocation Analysis modifier. Could that be?

In your script you specified your structure to be BCC. In that case there are no dislocations of type 1/2<110> and 1/6<112> and OVITO doesn't create global attributes with that name, see attached screenshot, neither in the GUI nor in the scripting version.

Your structure is FCC, see 2nd screenshot. Thus, you should change this line in your python script

modifier.input_crystal_structure = DislocationAnalysisModifier.Lattice.BCC

to

modifier.input_crystal_structure = DislocationAnalysisModifier.Lattice.FCC

instead.

-Constanze

Uploaded files:
  • dxa.png
  • dxa2.png

Thank you so much for your prompt response.

Yes, you are right.

 

Thanks again.

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