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adsorption template should run over `idx` and `jdx` #44

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PythonFZ opened this issue Dec 12, 2024 · 0 comments

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PythonFZ commented Dec 12, 2024

mlipx/mlipx/recipes/adsorption.py.jinja2

Lines 21 to 24 in 97f5562

    
           for model_name, model in MODELS.items(): 
        
               for idx, slab in enumerate(slabs): 
        
                   for jdx, adsorbate in enumerate(adsorbates): 
        
                       with project.group(model_name, str(idx)):

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