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Model check in config file #143

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federicazanca opened this issue Jun 12, 2024 · 0 comments
Open

Model check in config file #143

federicazanca opened this issue Jun 12, 2024 · 0 comments
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@federicazanca
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At the moment to check if I have given a model in the input validation for sp, opt, md, I go through the config file and look for model as a keyword. But model is nested in the calc-kwargs keyword, so I don't catch it and get an error even if I have given a model.
So I need to change it to look for the keyword there

@federicazanca federicazanca added bug Something isn't working aiida-mlip labels Jun 12, 2024
@federicazanca federicazanca self-assigned this Jun 12, 2024
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