Building the config file #535
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cw-tan
dominiczhere
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Where can I find the correct format for the .yaml file required in the latest version of nequip? I keep on hitting some errors with the config file. |
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Answered by
cw-tan
Aug 1, 2025
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Here: https://github.com/mir-group/nequip/blob/main/configs/tutorial.yaml If there are specific errors your getting, we can also take a look. The hydra stacktrace may make the actual error difficult to spot at times. |
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dominiczhere
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Hi @dominiczhere
Here: https://github.com/mir-group/nequip/blob/main/configs/tutorial.yaml
There's also a user guide that should be used alongside the tutorial config: https://nequip.readthedocs.io/en/latest/guide/guide.html
If there are specific errors your getting, we can also take a look. The hydra stacktrace may make the actual error difficult to spot at times.